6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

C32H41FN8O — CID 11621132

IUPAC6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(C)C2)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)CC1
InChIInChI=1S/C32H41FN8O/c1-22-18-25(31(42)38(4)27-11-13-37(3)21-27)20-34-30(22)40-16-14-39(15-17-40)29-19-28(24-7-9-26(33)10-8-24)35-32(36-29)41-12-5-6-23(41)2/h7-10,18-20,23,27H,5-6,11-17,21H2,1-4H3
InChIKeyUQUBWKBZKQVINI-UHFFFAOYSA-N
MW572.73 g/mol
LogP4.08
Rot. Bonds6

About 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 11621132) has the molecular formula C32H41FN8O and a molecular weight of 572.73 g/mol. Its IUPAC name is 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID11621132
Molecular FormulaC32H41FN8O
Molecular Weight572.73 g/mol
Exact Mass572.34
IUPAC Name6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(C)C2)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)CC1
InChIInChI=1S/C32H41FN8O/c1-22-18-25(31(42)38(4)27-11-13-37(3)21-27)20-34-30(22)40-16-14-39(15-17-40)29-19-28(24-7-9-26(33)10-8-24)35-32(36-29)41-12-5-6-23(41)2/h7-10,18-20,23,27H,5-6,11-17,21H2,1-4H3
InChIKeyUQUBWKBZKQVINI-UHFFFAOYSA-N
XLogP4.08
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.73
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (CID 11621132) is 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(C)C2)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)CC1.
What is the InChIKey of 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is UQUBWKBZKQVINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN8O/c1-22-18-25(31(42)38(4)27-11-13-37(3)21-27)20-34-30(22)40-16-14-39(15-17-40)29-19-28(24-7-9-26(33)10-8-24)35-32(36-29)41-12-5-6-23(41)2/h7-10,18-20,23,27H,5-6,11-17,21H2,1-4H3.
What are the key properties of 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 572.73 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 11621132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).