[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone

C25H29N3O3 — CID 163929371

IUPAC[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1-c1cnc2c(c1NC1CCCC1)C=CC2
InChIInChI=1S/C25H29N3O3/c1-30-23-15-17(25(29)28-11-13-31-14-12-28)9-10-19(23)21-16-26-22-8-4-7-20(22)24(21)27-18-5-2-3-6-18/h4,7,9-10,15-16,18H,2-3,5-6,8,11-14H2,1H3,(H,26,27)
InChIKeyRHJYZQXEDYORJO-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.15
Rot. Bonds5

About [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone

[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 163929371) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID163929371
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1-c1cnc2c(c1NC1CCCC1)C=CC2
InChIInChI=1S/C25H29N3O3/c1-30-23-15-17(25(29)28-11-13-31-14-12-28)9-10-19(23)21-16-26-22-8-4-7-20(22)24(21)27-18-5-2-3-6-18/h4,7,9-10,15-16,18H,2-3,5-6,8,11-14H2,1H3,(H,26,27)
InChIKeyRHJYZQXEDYORJO-UHFFFAOYSA-N
XLogP4.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 163478294
[4-[3-chloro-4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 146568063
[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 146568010
[4-[3-chloro-4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 146567998
[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146568076
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
[4-[(5-cyclopropyl-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539186
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
[4-(4-methoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137338460

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone (CID 163929371) is [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone is COc1cc(C(=O)N2CCOCC2)ccc1-c1cnc2c(c1NC1CCCC1)C=CC2.
What is the InChIKey of [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is RHJYZQXEDYORJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-30-23-15-17(25(29)28-11-13-31-14-12-28)9-10-19(23)21-16-26-22-8-4-7-20(22)24(21)27-18-5-2-3-6-18/h4,7,9-10,15-16,18H,2-3,5-6,8,11-14H2,1H3,(H,26,27).
What are the key properties of [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 419.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163929371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).