[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C27H33N5O3 — CID 146568010

IUPAC[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CC1
InChIInChI=1S/C27H33N5O3/c1-34-24-16-18(27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31)2-5-21(24)23-17-29-26-22(6-9-28-26)25(23)30-19-3-4-19/h2,5-6,9,16-17,19-20H,3-4,7-8,10-15H2,1H3,(H2,28,29,30)
InChIKeyROHSGWQYOGVDJT-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.75
Rot. Bonds6

About [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 146568010) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID146568010
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CC1
InChIInChI=1S/C27H33N5O3/c1-34-24-16-18(27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31)2-5-21(24)23-17-29-26-22(6-9-28-26)25(23)30-19-3-4-19/h2,5-6,9,16-17,19-20H,3-4,7-8,10-15H2,1H3,(H2,28,29,30)
InChIKeyROHSGWQYOGVDJT-UHFFFAOYSA-N
XLogP3.75
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[4-[3-chloro-4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 146568063
[4-[4-(ethylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 163478294
[4-[4-(cyclopentylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 163929371
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146565174
[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56745433
[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 95226446
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
CID 95217183
[3-methoxy-4-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 155321577

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 146568010) is [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CC1.
What is the InChIKey of [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ROHSGWQYOGVDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-34-24-16-18(27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31)2-5-21(24)23-17-29-26-22(6-9-28-26)25(23)30-19-3-4-19/h2,5-6,9,16-17,19-20H,3-4,7-8,10-15H2,1H3,(H2,28,29,30).
What are the key properties of [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 475.59 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 146568010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).