1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C22H24N6O — CID 97361693

IUPAC1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1
InChIInChI=1S/C22H24N6O/c29-21(26-19-4-3-7-23-13-19)20-10-17(15-28(20)14-16-5-6-16)18-11-24-22(25-12-18)27-8-1-2-9-27/h3-4,7,10-13,15-16H,1-2,5-6,8-9,14H2,(H,26,29)
InChIKeyUNILHCSKVVIZGY-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.60
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide

1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97361693) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97361693
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1
InChIInChI=1S/C22H24N6O/c29-21(26-19-4-3-7-23-13-19)20-10-17(15-28(20)14-16-5-6-16)18-11-24-22(25-12-18)27-8-1-2-9-27/h3-4,7,10-13,15-16H,1-2,5-6,8-9,14H2,(H,26,29)
InChIKeyUNILHCSKVVIZGY-UHFFFAOYSA-N
XLogP3.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropylmethyl)-N-(6-methyl-3-pyridinyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97385255
1-(cyclopropylmethyl)-N-(3-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849387
1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361706
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-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443243
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide
CID 95043029
1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97443219
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-fluoro-4-methylphenyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824722
[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 131646369
N-cyclopentyl-1-(cyclopropylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857425
1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443245

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97361693) is 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide is O=C(Nc1cccnc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is UNILHCSKVVIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-21(26-19-4-3-7-23-13-19)20-10-17(15-28(20)14-16-5-6-16)18-11-24-22(25-12-18)27-8-1-2-9-27/h3-4,7,10-13,15-16H,1-2,5-6,8-9,14H2,(H,26,29).
What are the key properties of 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97361693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).