N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C17H14N6O — CID 167973314

IUPACN-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(cc2C#N)CCC3)cnc2ccnn12
InChIInChI=1S/C17H14N6O/c1-10-13(9-19-15-5-6-20-23(10)15)17(24)22-16-12(8-18)7-11-3-2-4-14(11)21-16/h5-7,9H,2-4H2,1H3,(H,21,22,24)
InChIKeyRSTMZEDWXKOPGJ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.05
Rot. Bonds2

About N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 167973314) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID167973314
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(cc2C#N)CCC3)cnc2ccnn12
InChIInChI=1S/C17H14N6O/c1-10-13(9-19-15-5-6-20-23(10)15)17(24)22-16-12(8-18)7-11-3-2-4-14(11)21-16/h5-7,9H,2-4H2,1H3,(H,21,22,24)
InChIKeyRSTMZEDWXKOPGJ-UHFFFAOYSA-N
XLogP2.05
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 167973314) is N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2nc3c(cc2C#N)CCC3)cnc2ccnn12.
What is the InChIKey of N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RSTMZEDWXKOPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-10-13(9-19-15-5-6-20-23(10)15)17(24)22-16-12(8-18)7-11-3-2-4-14(11)21-16/h5-7,9H,2-4H2,1H3,(H,21,22,24).
What are the key properties of N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167973314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).