N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H24N6O2 — CID 164605846

IUPACN-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@H]2CC[C@H](N)C2)cn1
InChIInChI=1S/C23H24N6O2/c24-11-18-9-20(21(12-26-18)31-13-14-1-4-17(25)7-14)16-5-6-29-19(8-16)10-22(28-29)27-23(30)15-2-3-15/h5-6,8-10,12,14-15,17H,1-4,7,13,25H2,(H,27,28,30)/t14-,17+/m1/s1
InChIKeyAULMZXPSCVCBEN-PBHICJAKSA-N
MW416.49 g/mol
LogP3.12
Rot. Bonds6

About N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605846) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605846
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@H]2CC[C@H](N)C2)cn1
InChIInChI=1S/C23H24N6O2/c24-11-18-9-20(21(12-26-18)31-13-14-1-4-17(25)7-14)16-5-6-29-19(8-16)10-22(28-29)27-23(30)15-2-3-15/h5-6,8-10,12,14-15,17H,1-4,7,13,25H2,(H,27,28,30)/t14-,17+/m1/s1
InChIKeyAULMZXPSCVCBEN-PBHICJAKSA-N
XLogP3.12
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605846) is N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@H]2CC[C@H](N)C2)cn1.
What is the InChIKey of N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AULMZXPSCVCBEN-PBHICJAKSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-11-18-9-20(21(12-26-18)31-13-14-1-4-17(25)7-14)16-5-6-29-19(8-16)10-22(28-29)27-23(30)15-2-3-15/h5-6,8-10,12,14-15,17H,1-4,7,13,25H2,(H,27,28,30)/t14-,17+/m1/s1.
What are the key properties of N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[(1R,3S)-3-aminocyclopentyl]methoxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).