1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C24H25F2N5O — CID 97361706

IUPAC1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1
InChIInChI=1S/C24H25F2N5O/c25-20-7-17(8-21(26)10-20)11-27-23(32)22-9-18(15-31(22)14-16-3-4-16)19-12-28-24(29-13-19)30-5-1-2-6-30/h7-10,12-13,15-16H,1-6,11,14H2,(H,27,32)
InChIKeyRWQVGFYBKIFXBG-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.16
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide

1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97361706) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97361706
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1
InChIInChI=1S/C24H25F2N5O/c25-20-7-17(8-21(26)10-20)11-27-23(32)22-9-18(15-31(22)14-16-3-4-16)19-12-28-24(29-13-19)30-5-1-2-6-30/h7-10,12-13,15-16H,1-6,11,14H2,(H,27,32)
InChIKeyRWQVGFYBKIFXBG-UHFFFAOYSA-N
XLogP4.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97361706) is 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is RWQVGFYBKIFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O/c25-20-7-17(8-21(26)10-20)11-27-23(32)22-9-18(15-31(22)14-16-3-4-16)19-12-28-24(29-13-19)30-5-1-2-6-30/h7-10,12-13,15-16H,1-6,11,14H2,(H,27,32).
What are the key properties of 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(3,5-difluorophenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97361706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).