(3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C27H23N7O3 — CID 134461470

IUPAC(3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOCCc1cccn2ncc(-c3nnc(N[C@H]4N=C(c5ccccc5)c5ccccc5NC4=O)o3)c12
InChIInChI=1S/C27H23N7O3/c1-36-15-13-18-10-7-14-34-23(18)20(16-28-34)26-32-33-27(37-26)31-24-25(35)29-21-12-6-5-11-19(21)22(30-24)17-8-3-2-4-9-17/h2-12,14,16,24H,13,15H2,1H3,(H,29,35)(H,31,33)/t24-/m1/s1
InChIKeyFUJCAZMIHIAISY-XMMPIXPASA-N
MW493.53 g/mol
LogP3.80
Rot. Bonds7

About (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

(3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461470) has the molecular formula C27H23N7O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461470
Molecular FormulaC27H23N7O3
Molecular Weight493.53 g/mol
Exact Mass493.19
IUPAC Name(3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOCCc1cccn2ncc(-c3nnc(N[C@H]4N=C(c5ccccc5)c5ccccc5NC4=O)o3)c12
InChIInChI=1S/C27H23N7O3/c1-36-15-13-18-10-7-14-34-23(18)20(16-28-34)26-32-33-27(37-26)31-24-25(35)29-21-12-6-5-11-19(21)22(30-24)17-8-3-2-4-9-17/h2-12,14,16,24H,13,15H2,1H3,(H,29,35)(H,31,33)/t24-/m1/s1
InChIKeyFUJCAZMIHIAISY-XMMPIXPASA-N
XLogP3.80
TPSA118.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

5-{2-[2-(1H-indazol-5-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644867
5-(5-(5-(isopropylamino)-1,3,4-oxadiazol-2-yl)-1H-indol-3-yl)-N-methylnicotinamide
CID 68327959
6-(5-(5-(isopropylamino)-1,3,4-oxadiazol-2-yl)-1H-indol-3-yl)-N-methylpicolinamide
CID 68328897
N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
CID 90256613
N-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-4-carboxamide
CID 90256880
N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
CID 90256964
N-methyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
CID 90257047
6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
CID 90257080
N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
CID 90257225
US11390631, Example 53
CID 134461159
US11390631, Example 305
CID 134461427
US11390631, Example 420
CID 134461521

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461470) is (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is COCCc1cccn2ncc(-c3nnc(N[C@H]4N=C(c5ccccc5)c5ccccc5NC4=O)o3)c12.
What is the InChIKey of (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is FUJCAZMIHIAISY-XMMPIXPASA-N. The full InChI is InChI=1S/C27H23N7O3/c1-36-15-13-18-10-7-14-34-23(18)20(16-28-34)26-32-33-27(37-26)31-24-25(35)29-21-12-6-5-11-19(21)22(30-24)17-8-3-2-4-9-17/h2-12,14,16,24H,13,15H2,1H3,(H,29,35)(H,31,33)/t24-/m1/s1.
What are the key properties of (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
(3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 493.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-[4-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).