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

C24H26F3N5O3 — CID 155829816

IUPAC1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1NC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O.C2HF3O2/c1-15-6-4-5-7-19(15)25-21(28)20-10-17(14-27(20)13-16-8-9-16)18-11-23-22(24-12-18)26(2)3;3-2(4,5)1(6)7/h4-7,10-12,14,16H,8-9,13H2,1-3H3,(H,25,28);(H,6,7)
InChIKeyLVSGPLCYINUDQO-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.62
Rot. Bonds6

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

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155829816) 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-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155829816
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1NC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O.C2HF3O2/c1-15-6-4-5-7-19(15)25-21(28)20-10-17(14-27(20)13-16-8-9-16)18-11-23-22(24-12-18)26(2)3;3-2(4,5)1(6)7/h4-7,10-12,14,16H,8-9,13H2,1-3H3,(H,25,28);(H,6,7)
InChIKeyLVSGPLCYINUDQO-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-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850190
1-(cyclopropylmethyl)-N-[3-(dimethylamino)propyl]-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155841812
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide
CID 95043029
1-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824722
1-(cyclopropylmethyl)-N-(3-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849387
N-cyclopentyl-1-(cyclopropylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857425
1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843488
1-(cyclopropylmethyl)-N-[3-(diethylamino)propyl]-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155847582
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-(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-(6-methyl-3-pyridinyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97385255
4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850215

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155829816) is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccccc1NC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LVSGPLCYINUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.C2HF3O2/c1-15-6-4-5-7-19(15)25-21(28)20-10-17(14-27(20)13-16-8-9-16)18-11-23-22(24-12-18)26(2)3;3-2(4,5)1(6)7/h4-7,10-12,14,16H,8-9,13H2,1-3H3,(H,25,28);(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-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-(2-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155829816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).