N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide

C25H26FN7O — CID 121249705

IUPACN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC1CC2(C1)CN(C(=O)NCc1ccc(-c3ccnc4nc(-c5cnn(C)c5)[nH]c34)cc1F)C2
InChIInChI=1S/C25H26FN7O/c1-15-8-25(9-15)13-33(14-25)24(34)28-10-17-4-3-16(7-20(17)26)19-5-6-27-23-21(19)30-22(31-23)18-11-29-32(2)12-18/h3-7,11-12,15H,8-10,13-14H2,1-2H3,(H,28,34)(H,27,30,31)
InChIKeyVPMDMFODNRNCOX-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.11
Rot. Bonds4

About N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide

N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 121249705) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID121249705
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC1CC2(C1)CN(C(=O)NCc1ccc(-c3ccnc4nc(-c5cnn(C)c5)[nH]c34)cc1F)C2
InChIInChI=1S/C25H26FN7O/c1-15-8-25(9-15)13-33(14-25)24(34)28-10-17-4-3-16(7-20(17)26)19-5-6-27-23-21(19)30-22(31-23)18-11-29-32(2)12-18/h3-7,11-12,15H,8-10,13-14H2,1-2H3,(H,28,34)(H,27,30,31)
InChIKeyVPMDMFODNRNCOX-UHFFFAOYSA-N
XLogP4.11
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803712
3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249896
5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 121249712
1-(1,1-dihydroxythian-3-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 121249884
3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
CID 159724382
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
CID 149130542
6-tert-butyl-2-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 121250032
5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803536
5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
CID 166864826
2-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclobutan-1-amine
CID 171803789
2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one;ethane
CID 145061510
4-tert-butyl-N-[2-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-2-yl]benzamide
CID 121249938

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide (CID 121249705) is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide is CC1CC2(C1)CN(C(=O)NCc1ccc(-c3ccnc4nc(-c5cnn(C)c5)[nH]c34)cc1F)C2.
What is the InChIKey of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is VPMDMFODNRNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-15-8-25(9-15)13-33(14-25)24(34)28-10-17-4-3-16(7-20(17)26)19-5-6-27-23-21(19)30-22(31-23)18-11-29-32(2)12-18/h3-7,11-12,15H,8-10,13-14H2,1-2H3,(H,28,34)(H,27,30,31).
What are the key properties of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide?
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 121249705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).