2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile

C27H25N7 — CID 167649569

IUPAC2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile
SMILESCc1nccc(N2CCCc3nc(C4(c5nc6ccc(C#N)cc6[nH]5)CC5(CC5)C4)ccc32)n1
InChIInChI=1S/C27H25N7/c1-17-29-11-8-24(30-17)34-12-2-3-20-22(34)6-7-23(31-20)27(15-26(16-27)9-10-26)25-32-19-5-4-18(14-28)13-21(19)33-25/h4-8,11,13H,2-3,9-10,12,15-16H2,1H3,(H,32,33)
InChIKeyMBSJPEUZXWKIFO-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.87
Rot. Bonds3

About 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile

2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 167649569) has the molecular formula C27H25N7 and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile
PubChem CID167649569
Molecular FormulaC27H25N7
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC Name2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile
SMILESCc1nccc(N2CCCc3nc(C4(c5nc6ccc(C#N)cc6[nH]5)CC5(CC5)C4)ccc32)n1
InChIInChI=1S/C27H25N7/c1-17-29-11-8-24(30-17)34-12-2-3-20-22(34)6-7-23(31-20)27(15-26(16-27)9-10-26)25-32-19-5-4-18(14-28)13-21(19)33-25/h4-8,11,13H,2-3,9-10,12,15-16H2,1H3,(H,32,33)
InChIKeyMBSJPEUZXWKIFO-UHFFFAOYSA-N
XLogP4.87
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile 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

Abemaciclib
CID 46220502
Toreforant
CID 23650961
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
PF-4708671
CID 51371303
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
SB-525334
CID 9967941
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
Way-207024
CID 11496610
2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11521761
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
IN-1166
CID 16654987

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile (CID 167649569) is 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile is Cc1nccc(N2CCCc3nc(C4(c5nc6ccc(C#N)cc6[nH]5)CC5(CC5)C4)ccc32)n1.
What is the InChIKey of 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is MBSJPEUZXWKIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7/c1-17-29-11-8-24(30-17)34-12-2-3-20-22(34)6-7-23(31-20)27(15-26(16-27)9-10-26)25-32-19-5-4-18(14-28)13-21(19)33-25/h4-8,11,13H,2-3,9-10,12,15-16H2,1H3,(H,32,33).
What are the key properties of 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile?
2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 447.55 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 167649569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).