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

C57H79N19 — CID 157316276

IUPAC3-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
SMILESCc1cnn2c(N)cc(CC3CCN(C)CC3)nc12.Cc1cnn2c(N)cc(CCC[C@@H]3CCCN3)nc12.Cc1cnn2c(N)cc(CCC[C@H]3CCCN3)nc12.Cc1cnn2c(N)cc(CCc3ccccc3)nc12
InChIInChI=1S/C15H16N4.3C14H21N5/c1-11-10-17-19-14(16)9-13(18-15(11)19)8-7-12-5-3-2-4-6-12;1-10-9-16-19-13(15)8-12(17-14(10)19)7-11-3-5-18(2)6-4-11;2*1-10-9-17-19-13(15)8-12(18-14(10)19)5-2-4-11-6-3-7-16-11/h2-6,9-10H,7-8,16H2,1H3;8-9,11H,3-7,15H2,1-2H3;2*8-9,11,16H,2-7,15H2,1H3/t;;2*11-/m..10/s1
InChIKeyBDPZGZKOGLRKHG-ZXJAGDCASA-N
MW1030.39 g/mol
LogP7.30
Rot. Bonds13

About 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

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 (PubChem CID 157316276) has the molecular formula C57H79N19 and a molecular weight of 1030.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157316276
Molecular FormulaC57H79N19
Molecular Weight1030.39 g/mol
Exact Mass1029.68
IUPAC Name3-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
SMILESCc1cnn2c(N)cc(CC3CCN(C)CC3)nc12.Cc1cnn2c(N)cc(CCC[C@@H]3CCCN3)nc12.Cc1cnn2c(N)cc(CCC[C@H]3CCCN3)nc12.Cc1cnn2c(N)cc(CCc3ccccc3)nc12
InChIInChI=1S/C15H16N4.3C14H21N5/c1-11-10-17-19-14(16)9-13(18-15(11)19)8-7-12-5-3-2-4-6-12;1-10-9-16-19-13(15)8-12(17-14(10)19)7-11-3-5-18(2)6-4-11;2*1-10-9-17-19-13(15)8-12(18-14(10)19)5-2-4-11-6-3-7-16-11/h2-6,9-10H,7-8,16H2,1H3;8-9,11H,3-7,15H2,1-2H3;2*8-9,11,16H,2-7,15H2,1H3/t;;2*11-/m..10/s1
InChIKeyBDPZGZKOGLRKHG-ZXJAGDCASA-N
XLogP7.30
TPSA252.14 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001030.39
LogP ≤ 57.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
kinase inhibitor 2 [PMID: 30199702]
CID 134813913
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
N-benzyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319377
1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-[6-(1-piperazinyl)-3-pyridinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212480
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517752
1-[(4-aminocyclohexyl)methyl]-N-methyl-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 70696471

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnn2c(N)cc(CC3CCN(C)CC3)nc12.Cc1cnn2c(N)cc(CCC[C@@H]3CCCN3)nc12.Cc1cnn2c(N)cc(CCC[C@H]3CCCN3)nc12.Cc1cnn2c(N)cc(CCc3ccccc3)nc12.
What is the InChIKey of 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?
The InChIKey is BDPZGZKOGLRKHG-ZXJAGDCASA-N. The full InChI is InChI=1S/C15H16N4.3C14H21N5/c1-11-10-17-19-14(16)9-13(18-15(11)19)8-7-12-5-3-2-4-6-12;1-10-9-16-19-13(15)8-12(17-14(10)19)7-11-3-5-18(2)6-4-11;2*1-10-9-17-19-13(15)8-12(18-14(10)19)5-2-4-11-6-3-7-16-11/h2-6,9-10H,7-8,16H2,1H3;8-9,11H,3-7,15H2,1-2H3;2*8-9,11,16H,2-7,15H2,1H3/t;;2*11-/m..10/s1.
What are the key properties of 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?
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 has a molecular weight of 1030.39 g/mol, XLogP of 7.30, 13 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157316276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).