1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C25H23N5O — CID 97443219

IUPAC1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1
InChIInChI=1S/C25H23N5O/c31-25(29-13-19-5-4-10-26-12-19)23-11-21(17-30(23)16-18-8-9-18)22-14-27-24(28-15-22)20-6-2-1-3-7-20/h1-7,10-12,14-15,17-18H,8-9,13,16H2,(H,29,31)
InChIKeyGTMUMQKETPSJTF-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.35
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 97443219) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID97443219
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1
InChIInChI=1S/C25H23N5O/c31-25(29-13-19-5-4-10-26-12-19)23-11-21(17-30(23)16-18-8-9-18)22-14-27-24(28-15-22)20-6-2-1-3-7-20/h1-7,10-12,14-15,17-18H,8-9,13,16H2,(H,29,31)
InChIKeyGTMUMQKETPSJTF-UHFFFAOYSA-N
XLogP4.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443245
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-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443243
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-(diethylamino)propyl]-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155847582
[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406
1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361693
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862316

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 97443219) is 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is O=C(NCc1cccnc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GTMUMQKETPSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(29-13-19-5-4-10-26-12-19)23-11-21(17-30(23)16-18-8-9-18)22-14-27-24(28-15-22)20-6-2-1-3-7-20/h1-7,10-12,14-15,17-18H,8-9,13,16H2,(H,29,31).
What are the key properties of 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 97443219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).