(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone

C26H29FN4O3 — CID 162749185

IUPAC(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OC2CC2)cc1)N1CCC(c2c(F)cnc3[nH]c([C@H]4CNCCO4)cc23)CC1
InChIInChI=1S/C26H29FN4O3/c27-21-14-29-25-20(13-22(30-25)23-15-28-9-12-33-23)24(21)16-7-10-31(11-8-16)26(32)17-1-3-18(4-2-17)34-19-5-6-19/h1-4,13-14,16,19,23,28H,5-12,15H2,(H,29,30)/t23-/m1/s1
InChIKeyBMNHQINCEUHGRA-HSZRJFAPSA-N
MW464.54 g/mol
LogP3.92
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone

(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone (PubChem CID 162749185) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
PubChem CID162749185
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OC2CC2)cc1)N1CCC(c2c(F)cnc3[nH]c([C@H]4CNCCO4)cc23)CC1
InChIInChI=1S/C26H29FN4O3/c27-21-14-29-25-20(13-22(30-25)23-15-28-9-12-33-23)24(21)16-7-10-31(11-8-16)26(32)17-1-3-18(4-2-17)34-19-5-6-19/h1-4,13-14,16,19,23,28H,5-12,15H2,(H,29,30)/t23-/m1/s1
InChIKeyBMNHQINCEUHGRA-HSZRJFAPSA-N
XLogP3.92
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162748805
(2-amino-4-cyclopropyloxyphenyl)-[4-(5-fluoro-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748925
(4-cyclopropyloxy-2-fluorophenyl)-[4-[5-fluoro-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162748976
[4-[5-fluoro-2-(7-oxa-4-azaspiro[2.5]octan-8-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162749180
(2-amino-4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162748949
[3,5-difluoro-4-(trifluoromethoxy)phenyl]-[4-(5-fluoro-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162749099
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162749049
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 162749013
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[5-fluoro-2-(1-methylazetidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162749131
1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone
CID 66594601
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964
[4-[(2R,7R)-15-fluoro-5-oxa-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-16-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 177183127

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone (CID 162749185) is (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone is O=C(c1ccc(OC2CC2)cc1)N1CCC(c2c(F)cnc3[nH]c([C@H]4CNCCO4)cc23)CC1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone?
The InChIKey is BMNHQINCEUHGRA-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29FN4O3/c27-21-14-29-25-20(13-22(30-25)23-15-28-9-12-33-23)24(21)16-7-10-31(11-8-16)26(32)17-1-3-18(4-2-17)34-19-5-6-19/h1-4,13-14,16,19,23,28H,5-12,15H2,(H,29,30)/t23-/m1/s1.
What are the key properties of (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone?
(4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-[(2R)-morpholin-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162749185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).