1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C24H26F3N5O3 — CID 155850190

IUPAC1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O.C2HF3O2/c1-15-5-4-6-19(9-15)25-21(28)20-10-17(14-27(20)13-16-7-8-16)18-11-23-22(24-12-18)26(2)3;3-2(4,5)1(6)7/h4-6,9-12,14,16H,7-8,13H2,1-3H3,(H,25,28);(H,6,7)
InChIKeyJSJZTTHMIKSTFM-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.62
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850190) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850190
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O.C2HF3O2/c1-15-5-4-6-19(9-15)25-21(28)20-10-17(14-27(20)13-16-7-8-16)18-11-23-22(24-12-18)26(2)3;3-2(4,5)1(6)7/h4-6,9-12,14,16H,7-8,13H2,1-3H3,(H,25,28);(H,6,7)
InChIKeyJSJZTTHMIKSTFM-UHFFFAOYSA-N
XLogP4.62
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155829816
1-(cyclopropylmethyl)-N-(2-pyridin-3-ylethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155857062
1-N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 44530498
[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406
2-[2-[(6-methoxy-3-pyridinyl)-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 47081192
4-(cyclopropylmethyl)-1-methyl-N-pyridin-3-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853691
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
3,4-dichloro-N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44536756
5-[(3-methylbenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060894
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
[2-(3-methylanilino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739296
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155850190) is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JSJZTTHMIKSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.C2HF3O2/c1-15-5-4-6-19(9-15)25-21(28)20-10-17(14-27(20)13-16-7-8-16)18-11-23-22(24-12-18)26(2)3;3-2(4,5)1(6)7/h4-6,9-12,14,16H,7-8,13H2,1-3H3,(H,25,28);(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 489.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).