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

C25H26N6O2 — CID 164605258

IUPACN-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCC2CC(NC3CC3)C2)cn1
InChIInChI=1S/C25H26N6O2/c26-12-20-10-22(23(13-27-20)33-14-15-7-19(8-15)28-18-3-4-18)17-5-6-31-21(9-17)11-24(30-31)29-25(32)16-1-2-16/h5-6,9-11,13,15-16,18-19,28H,1-4,7-8,14H2,(H,29,30,32)
InChIKeyZRLALMIRSPCXOX-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.53
Rot. Bonds8

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

N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605258) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605258
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCC2CC(NC3CC3)C2)cn1
InChIInChI=1S/C25H26N6O2/c26-12-20-10-22(23(13-27-20)33-14-15-7-19(8-15)28-18-3-4-18)17-5-6-31-21(9-17)11-24(30-31)29-25(32)16-1-2-16/h5-6,9-11,13,15-16,18-19,28H,1-4,7-8,14H2,(H,29,30,32)
InChIKeyZRLALMIRSPCXOX-UHFFFAOYSA-N
XLogP3.53
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605258) is N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCC2CC(NC3CC3)C2)cn1.
What is the InChIKey of N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZRLALMIRSPCXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c26-12-20-10-22(23(13-27-20)33-14-15-7-19(8-15)28-18-3-4-18)17-5-6-31-21(9-17)11-24(30-31)29-25(32)16-1-2-16/h5-6,9-11,13,15-16,18-19,28H,1-4,7-8,14H2,(H,29,30,32).
What are the key properties of N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-cyano-5-[[3-(cyclopropylamino)cyclobutyl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).