1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C26H29F3N6O3 — CID 155862316

IUPAC1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCc1ccncc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28N6O.C2HF3O2/c31-23(26-10-7-18-5-8-25-9-6-18)22-13-20(17-30(22)16-19-3-4-19)21-14-27-24(28-15-21)29-11-1-2-12-29;3-2(4,5)1(6)7/h5-6,8-9,13-15,17,19H,1-4,7,10-12,16H2,(H,26,31);(H,6,7)
InChIKeyFTYABHFKHXETQL-UHFFFAOYSA-N
MW530.55 g/mol
LogP3.96
Rot. Bonds8

About 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155862316) has the molecular formula C26H29F3N6O3 and a molecular weight of 530.55 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155862316
Molecular FormulaC26H29F3N6O3
Molecular Weight530.55 g/mol
Exact Mass530.23
IUPAC Name1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCc1ccncc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28N6O.C2HF3O2/c31-23(26-10-7-18-5-8-25-9-6-18)22-13-20(17-30(22)16-19-3-4-19)21-14-27-24(28-15-21)29-11-1-2-12-29;3-2(4,5)1(6)7/h5-6,8-9,13-15,17,19H,1-4,7,10-12,16H2,(H,26,31);(H,6,7)
InChIKeyFTYABHFKHXETQL-UHFFFAOYSA-N
XLogP3.96
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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-methoxyphenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833214
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)-N-(3-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849387
1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97407332
N-cyclopentyl-1-(cyclopropylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857425
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)-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-(3-fluoro-4-methylphenyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824722
1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443243

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155862316) is 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCc1ccncc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FTYABHFKHXETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C2HF3O2/c31-23(26-10-7-18-5-8-25-9-6-18)22-13-20(17-30(22)16-19-3-4-19)21-14-27-24(28-15-21)29-11-1-2-12-29;3-2(4,5)1(6)7/h5-6,8-9,13-15,17,19H,1-4,7,10-12,16H2,(H,26,31);(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 530.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).