[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C27H34N4O3 — CID 163478294

IUPAC[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2c1C=CC2
InChIInChI=1S/C27H34N4O3/c1-3-28-26-22-5-4-6-24(22)29-18-23(26)21-8-7-19(17-25(21)33-2)27(32)31-11-9-20(10-12-31)30-13-15-34-16-14-30/h4-5,7-8,17-18,20H,3,6,9-16H2,1-2H3,(H,28,29)
InChIKeyCCIUHHMTVFXWHW-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.70
Rot. Bonds6

About [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 163478294) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID163478294
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2c1C=CC2
InChIInChI=1S/C27H34N4O3/c1-3-28-26-22-5-4-6-24(22)29-18-23(26)21-8-7-19(17-25(21)33-2)27(32)31-11-9-20(10-12-31)30-13-15-34-16-14-30/h4-5,7-8,17-18,20H,3,6,9-16H2,1-2H3,(H,28,29)
InChIKeyCCIUHHMTVFXWHW-UHFFFAOYSA-N
XLogP3.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 163929371
[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
[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 160761259
[4-[3-chloro-4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 146568063
[4-[[4-[[(2S)-butan-2-yl]amino]-5-chloro-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 159261413
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
[6-(1-methoxybutan-2-ylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742699
[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146568076
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
[4-[[4-[[(2S)-butan-2-yl]amino]-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 122490621

Frequently Asked Questions

What is the IUPAC name of [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 163478294) is [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is CCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2c1C=CC2.
What is the InChIKey of [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is CCIUHHMTVFXWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-28-26-22-5-4-6-24(22)29-18-23(26)21-8-7-19(17-25(21)33-2)27(32)31-11-9-20(10-12-31)30-13-15-34-16-14-30/h4-5,7-8,17-18,20H,3,6,9-16H2,1-2H3,(H,28,29).
What are the key properties of [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 462.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 163478294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).