1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

C24H25N7O — CID 97443238

IUPAC1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(-c2cnc(-c3ccnn3C)nc2)cn1CC1CC1
InChIInChI=1S/C24H25N7O/c1-29(16-20-5-3-4-9-25-20)24(32)22-11-18(15-31(22)14-17-6-7-17)19-12-26-23(27-13-19)21-8-10-28-30(21)2/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3
InChIKeyUTNHOAJTLUTKEN-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.42
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 97443238) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID97443238
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(-c2cnc(-c3ccnn3C)nc2)cn1CC1CC1
InChIInChI=1S/C24H25N7O/c1-29(16-20-5-3-4-9-25-20)24(32)22-11-18(15-31(22)14-17-6-7-17)19-12-26-23(27-13-19)21-8-10-28-30(21)2/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3
InChIKeyUTNHOAJTLUTKEN-UHFFFAOYSA-N
XLogP3.42
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 97443238) is 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is CN(Cc1ccccn1)C(=O)c1cc(-c2cnc(-c3ccnn3C)nc2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is UTNHOAJTLUTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-29(16-20-5-3-4-9-25-20)24(32)22-11-18(15-31(22)14-17-6-7-17)19-12-26-23(27-13-19)21-8-10-28-30(21)2/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 97443238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).