7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H25N7O2 — CID 16743448

IUPAC7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc1
InChIInChI=1S/C19H25N7O2/c1-11-9-14(22-10-19(2,3)21)26-18(23-11)15(16(20)27)17(25-26)24-12-5-7-13(28-4)8-6-12/h5-9,22H,10,21H2,1-4H3,(H2,20,27)(H,24,25)
InChIKeyOQBFRPJDRCLHQU-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.04
Rot. Bonds7

About 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16743448) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16743448
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc1
InChIInChI=1S/C19H25N7O2/c1-11-9-14(22-10-19(2,3)21)26-18(23-11)15(16(20)27)17(25-26)24-12-5-7-13(28-4)8-6-12/h5-9,22H,10,21H2,1-4H3,(H2,20,27)(H,24,25)
InChIKeyOQBFRPJDRCLHQU-UHFFFAOYSA-N
XLogP2.04
TPSA132.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16743447
5-(2-amino-2-methylpropyl)-7-(3,5-dimethylanilino)-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 139997961
2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 16743813
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 35025033
5-[(2-amino-2-oxoethyl)amino]-7-(3,5-dimethoxyanilino)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
CID 139997974
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
5,7-bis(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 139997980
(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
CID 83824610
3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 59777421
3-[(3,5-diethyl-4-hydroxyphenyl)methylamino]-5-(4-methoxyanilino)-1H-pyrazole-4-carboxamide
CID 145112275

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16743448) is 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc1.
What is the InChIKey of 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OQBFRPJDRCLHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-11-9-14(22-10-19(2,3)21)26-18(23-11)15(16(20)27)17(25-26)24-12-5-7-13(28-4)8-6-12/h5-9,22H,10,21H2,1-4H3,(H2,20,27)(H,24,25).
What are the key properties of 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16743448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).