1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

C72H95Br3Cl2N38O — CID 158828888

IUPAC1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(NC(=O)Nc3ccccc3)cnn12
InChIInChI=1S/C17H20N8O.3C11H15BrN6.2C11H15ClN6/c18-11-6-7-24(10-11)15-8-14(19)25-16(23-15)13(9-20-25)22-17(26)21-12-4-2-1-3-5-12;5*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1-5,8-9,11H,6-7,10,18-19H2,(H2,21,22,26);5*4,7H,2-3,5,13-14H2,1H3/t11-;5*7-/m010010/s1
InChIKeyIWUJDWPXPFURQE-HBTDWLKLSA-N
MW1819.43 g/mol
LogP5.87
Rot. Bonds8

About 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158828888) has the molecular formula C72H95Br3Cl2N38O and a molecular weight of 1819.43 g/mol. Its IUPAC name is 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158828888
Molecular FormulaC72H95Br3Cl2N38O
Molecular Weight1819.43 g/mol
Exact Mass1814.55
IUPAC Name1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(NC(=O)Nc3ccccc3)cnn12
InChIInChI=1S/C17H20N8O.3C11H15BrN6.2C11H15ClN6/c18-11-6-7-24(10-11)15-8-14(19)25-16(23-15)13(9-20-25)22-17(26)21-12-4-2-1-3-5-12;5*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1-5,8-9,11H,6-7,10,18-19H2,(H2,21,22,26);5*4,7H,2-3,5,13-14H2,1H3/t11-;5*7-/m010010/s1
InChIKeyIWUJDWPXPFURQE-HBTDWLKLSA-N
XLogP5.87
TPSA553.95 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001819.43
LogP ≤ 55.87
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Analyze 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 87579541
3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-1-carboxamide
CID 90826163
3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142869840
N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-[1-[[6-(3-iminopyrrolidin-1-yl)-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 143460590
5-[1-[6-[[4-(7-Amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143656308
2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 143656310
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-bromo-7-N-(pyridin-3-ylmethyl)-5-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145500168
methane;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;N-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 157084552
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157149397
2-N-(2-aminoethyl)-5-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]pyridine-2,5-diamine;N-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[2-[(3R)-3-aminopyrrolidin-1-yl]-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 157259784
3-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[3-[(2S)-pyrrolidin-2-yl]propyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[3-[(2R)-pyrrolidin-2-yl]propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157316276
1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine
CID 157330834

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158828888) is 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(NC(=O)Nc3ccccc3)cnn12.
What is the InChIKey of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IWUJDWPXPFURQE-HBTDWLKLSA-N. The full InChI is InChI=1S/C17H20N8O.3C11H15BrN6.2C11H15ClN6/c18-11-6-7-24(10-11)15-8-14(19)25-16(23-15)13(9-20-25)22-17(26)21-12-4-2-1-3-5-12;5*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1-5,8-9,11H,6-7,10,18-19H2,(H2,21,22,26);5*4,7H,2-3,5,13-14H2,1H3/t11-;5*7-/m010010/s1.
What are the key properties of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1819.43 g/mol, XLogP of 5.87, 8 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158828888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).