[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C23H32N6O — CID 131646369

IUPAC[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1
InChIInChI=1S/C23H32N6O/c1-26(2)20-7-10-28(16-20)22(30)21-11-18(15-29(21)14-17-5-6-17)19-12-24-23(25-13-19)27-8-3-4-9-27/h11-13,15,17,20H,3-10,14,16H2,1-2H3
InChIKeyGWPLMDKENZFCGB-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.73
Rot. Bonds6

About [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 131646369) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID131646369
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1
InChIInChI=1S/C23H32N6O/c1-26(2)20-7-10-28(16-20)22(30)21-11-18(15-29(21)14-17-5-6-17)19-12-24-23(25-13-19)27-8-3-4-9-27/h11-13,15,17,20H,3-10,14,16H2,1-2H3
InChIKeyGWPLMDKENZFCGB-UHFFFAOYSA-N
XLogP2.73
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(cyclopropylmethyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrol-2-yl]-(oxazinan-2-yl)methanone
CID 97361746
1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361706
1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361693
[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406
1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862316
1-(cyclopropylmethyl)-N-[(2-methoxyphenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833214
[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134078522
1-(cyclopropylmethyl)-N-(3-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849387
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378243
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
1-(cyclopropylmethyl)-N-[3-(dimethylamino)propyl]-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155841812

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 131646369) is [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GWPLMDKENZFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-26(2)20-7-10-28(16-20)22(30)21-11-18(15-29(21)14-17-5-6-17)19-12-24-23(25-13-19)27-8-3-4-9-27/h11-13,15,17,20H,3-10,14,16H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 408.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 131646369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).