N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C26H25N9O2 — CID 168774382

IUPACN-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc3n(n2)CCC32CCC2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)c(C#N)c21
InChIInChI=1S/C26H25N9O2/c1-34-22-17(13-27)18(37-16-5-9-28-20(11-16)30-24(36)15-3-4-15)14-29-23(22)32-25(34)31-21-12-19-26(6-2-7-26)8-10-35(19)33-21/h5,9,11-12,14-15H,2-4,6-8,10H2,1H3,(H,28,30,36)(H,29,31,32,33)
InChIKeyLDCNXIDLESOHMV-UHFFFAOYSA-N
MW495.55 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 168774382) has the molecular formula C26H25N9O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID168774382
Molecular FormulaC26H25N9O2
Molecular Weight495.55 g/mol
Exact Mass495.21
IUPAC NameN-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc3n(n2)CCC32CCC2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)c(C#N)c21
InChIInChI=1S/C26H25N9O2/c1-34-22-17(13-27)18(37-16-5-9-28-20(11-16)30-24(36)15-3-4-15)14-29-23(22)32-25(34)31-21-12-19-26(6-2-7-26)8-10-35(19)33-21/h5,9,11-12,14-15H,2-4,6-8,10H2,1H3,(H,28,30,36)(H,29,31,32,33)
InChIKeyLDCNXIDLESOHMV-UHFFFAOYSA-N
XLogP4.14
TPSA135.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 168774464
N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide
CID 168880265
oxolan-3-yl N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]carbamate
CID 168774363
N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041541
N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774314
N-[4-[7-cyano-1-methyl-2-[4-(1-methylpyrrolidin-2-yl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774351
N-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 167639688
N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide
CID 169032827
2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile
CID 164558512
[(3S)-oxolan-3-yl] N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]carbamate
CID 168774398
N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 167708068
N-[4-[2-[[5-tert-butyl-1-(cyanomethyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 157041548

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 168774382) is N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1c(Nc2cc3n(n2)CCC32CCC2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)c(C#N)c21.
What is the InChIKey of N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is LDCNXIDLESOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2/c1-34-22-17(13-27)18(37-16-5-9-28-20(11-16)30-24(36)15-3-4-15)14-29-23(22)32-25(34)31-21-12-19-26(6-2-7-26)8-10-35(19)33-21/h5,9,11-12,14-15H,2-4,6-8,10H2,1H3,(H,28,30,36)(H,29,31,32,33).
What are the key properties of N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 495.55 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 168774382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).