[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone

C25H27N5O2 — CID 97446810

IUPAC[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
SMILESCOc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@H](N(C)C)C4)c4ccccn34)n2)cc1
InChIInChI=1S/C25H27N5O2/c1-27(2)19-11-14-28(17-19)25(31)21-16-24(29-13-5-4-6-23(21)29)22-12-15-30(26-22)18-7-9-20(32-3)10-8-18/h4-10,12-13,15-16,19H,11,14,17H2,1-3H3/t19-/m0/s1
InChIKeyCFEBKOGDCOHRTH-IBGZPJMESA-N
MW429.52 g/mol
LogP3.58
Rot. Bonds5

About [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone (PubChem CID 97446810) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
PubChem CID97446810
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
SMILESCOc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@H](N(C)C)C4)c4ccccn34)n2)cc1
InChIInChI=1S/C25H27N5O2/c1-27(2)19-11-14-28(17-19)25(31)21-16-24(29-13-5-4-6-23(21)29)22-12-15-30(26-22)18-7-9-20(32-3)10-8-18/h4-10,12-13,15-16,19H,11,14,17H2,1-3H3/t19-/m0/s1
InChIKeyCFEBKOGDCOHRTH-IBGZPJMESA-N
XLogP3.58
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 131650381
[4-(dimethylamino)piperidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155855131
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
CID 97446982
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 97446913
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone
CID 97442217
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 97446734
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone?
The IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone (CID 97446810) is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone?
The canonical SMILES for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone is COc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@H](N(C)C)C4)c4ccccn34)n2)cc1.
What is the InChIKey of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone?
The InChIKey is CFEBKOGDCOHRTH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27N5O2/c1-27(2)19-11-14-28(17-19)25(31)21-16-24(29-13-5-4-6-23(21)29)22-12-15-30(26-22)18-7-9-20(32-3)10-8-18/h4-10,12-13,15-16,19H,11,14,17H2,1-3H3/t19-/m0/s1.
What are the key properties of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone?
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone is sourced from PubChem (CID 97446810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).