[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone

C24H25N5O2 — CID 97442217

IUPAC[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccn23)cc1
InChIInChI=1S/C24H25N5O2/c1-27(2)17-11-13-28(14-17)24(30)20-19-6-4-5-12-29(19)23-21(20)22(25-15-26-23)16-7-9-18(31-3)10-8-16/h4-10,12,15,17H,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyNUARHEZTOSVPNR-QGZVFWFLSA-N
MW415.50 g/mol
LogP3.33
Rot. Bonds4

About [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone (PubChem CID 97442217) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone
PubChem CID97442217
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccn23)cc1
InChIInChI=1S/C24H25N5O2/c1-27(2)17-11-13-28(14-17)24(30)20-19-6-4-5-12-29(19)23-21(20)22(25-15-26-23)16-7-9-18(31-3)10-8-16/h4-10,12,15,17H,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyNUARHEZTOSVPNR-QGZVFWFLSA-N
XLogP3.33
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide
CID 97442207
4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
CID 97442209
[3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 131650381
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 97446810
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone
CID 97407155
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
CID 97446982
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 26400570
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone?
The IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone (CID 97442217) is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone is COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccn23)cc1.
What is the InChIKey of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone?
The InChIKey is NUARHEZTOSVPNR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-27(2)17-11-13-28(14-17)24(30)20-19-6-4-5-12-29(19)23-21(20)22(25-15-26-23)16-7-9-18(31-3)10-8-16/h4-10,12,15,17H,11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone?
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone has a molecular weight of 415.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone is sourced from PubChem (CID 97442217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).