6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide

C29H30FN7O2 — CID 67268412

IUPAC6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C2CCCN2c2ccnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)n2)no1
InChIInChI=1S/C29H30FN7O2/c1-19-16-25(35-39-19)26-6-3-13-37(26)27-9-12-31-29(34-27)36-14-10-23(11-15-36)33-28(38)21-7-8-24(32-18-21)20-4-2-5-22(30)17-20/h2,4-5,7-9,12,16-18,23,26H,3,6,10-11,13-15H2,1H3,(H,33,38)
InChIKeyIWFJEEZWXGFIBR-UHFFFAOYSA-N
MW527.60 g/mol
LogP4.71
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268412) has the molecular formula C29H30FN7O2 and a molecular weight of 527.60 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268412
Molecular FormulaC29H30FN7O2
Molecular Weight527.60 g/mol
Exact Mass527.24
IUPAC Name6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C2CCCN2c2ccnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)n2)no1
InChIInChI=1S/C29H30FN7O2/c1-19-16-25(35-39-19)26-6-3-13-37(26)27-9-12-31-29(34-27)36-14-10-23(11-15-36)33-28(38)21-7-8-24(32-18-21)20-4-2-5-22(30)17-20/h2,4-5,7-9,12,16-18,23,26H,3,6,10-11,13-15H2,1H3,(H,33,38)
InChIKeyIWFJEEZWXGFIBR-UHFFFAOYSA-N
XLogP4.71
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268412) is 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is Cc1cc(C2CCCN2c2ccnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)n2)no1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is IWFJEEZWXGFIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O2/c1-19-16-25(35-39-19)26-6-3-13-37(26)27-9-12-31-29(34-27)36-14-10-23(11-15-36)33-28(38)21-7-8-24(32-18-21)20-4-2-5-22(30)17-20/h2,4-5,7-9,12,16-18,23,26H,3,6,10-11,13-15H2,1H3,(H,33,38).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).