2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H23N7O2 — CID 90382479

IUPAC2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)C1C(N)NN2CC(CC#N)CN(C)C12
InChIInChI=1S/C16H23N7O2/c1-22-8-10(3-5-17)9-23-16(22)13(14(18)21-23)15(24)20-11-7-19-6-4-12(11)25-2/h4,6-7,10,13-14,16,21H,3,8-9,18H2,1-2H3,(H,20,24)
InChIKeyQJFBIINFNNHDBH-UHFFFAOYSA-N
MW345.41 g/mol
LogP-0.45
Rot. Bonds4

About 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90382479) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90382479
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)C1C(N)NN2CC(CC#N)CN(C)C12
InChIInChI=1S/C16H23N7O2/c1-22-8-10(3-5-17)9-23-16(22)13(14(18)21-23)15(24)20-11-7-19-6-4-12(11)25-2/h4,6-7,10,13-14,16,21H,3,8-9,18H2,1-2H3,(H,20,24)
InChIKeyQJFBIINFNNHDBH-UHFFFAOYSA-N
XLogP-0.45
TPSA119.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212124
N-(4-methoxy-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 118959108
4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 71982296
3,3-diamino-2-[5-(cyanomethyl)-1,3-diazinan-2-yl]-N-(4-piperidin-4-yloxy-3-pyridinyl)propanamide
CID 90212011
3,3-diamino-2-[5-(1-cyanoethyl)-1,3-diazinan-2-yl]-N-(4-methoxy-3-pyridinyl)propanamide
CID 90212049
N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
2-amino-6-fluoro-N-[4-(2-oxo-1H-pyridin-3-yl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279942
tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 75467196
(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
CID 119868833
(2R,3R)-2-ethyl-N-(4-methoxy-3-pyridinyl)oxane-3-carboxamide
CID 129479124
N-(4-methoxy-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119868819

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90382479) is 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccncc1NC(=O)C1C(N)NN2CC(CC#N)CN(C)C12.
What is the InChIKey of 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QJFBIINFNNHDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-22-8-10(3-5-17)9-23-16(22)13(14(18)21-23)15(24)20-11-7-19-6-4-12(11)25-2/h4,6-7,10,13-14,16,21H,3,8-9,18H2,1-2H3,(H,20,24).
What are the key properties of 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90382479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).