(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone

C22H21N5O — CID 154569881

IUPAC(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
SMILESCc1cn2cccc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4CC3)c2n1
InChIInChI=1S/C22H21N5O/c1-15-14-27-11-5-8-18(21(27)23-15)22(28)26-12-9-17-19(10-13-26)24-25-20(17)16-6-3-2-4-7-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyKXYALZXMIPGPEV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.27
Rot. Bonds2

About (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone

(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone (PubChem CID 154569881) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
PubChem CID154569881
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
SMILESCc1cn2cccc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4CC3)c2n1
InChIInChI=1S/C22H21N5O/c1-15-14-27-11-5-8-18(21(27)23-15)22(28)26-12-9-17-19(10-13-26)24-25-20(17)16-6-3-2-4-7-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyKXYALZXMIPGPEV-UHFFFAOYSA-N
XLogP3.27
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone with MolForge

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Related Compounds

(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 154569622
(5-methyl-1,2-oxazol-3-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146044778
3-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 154564346
(5-fluoro-2-methoxyphenyl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146042269
2-methyl-6-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)pyran-4-one
CID 155918475
(2-amino-1,3-thiazol-4-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154564074
N-[2-oxo-2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]acetamide
CID 146045829
(2R)-2-cyclohexyl-2-hydroxy-1-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethanone
CID 154569708
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 146045833
(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
CID 172826981
(3,5-difluoro-2-pyridinyl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146044540
[2-[(1S)-1-amino-2-methylpropyl]-1,3-thiazol-4-yl]-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571861

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone (CID 154569881) is (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone is Cc1cn2cccc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4CC3)c2n1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone?
The InChIKey is KXYALZXMIPGPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-14-27-11-5-8-18(21(27)23-15)22(28)26-12-9-17-19(10-13-26)24-25-20(17)16-6-3-2-4-7-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,24,25).
What are the key properties of (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone?
(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone is sourced from PubChem (CID 154569881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).