N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide

C41H50FN7O3 — CID 44518336

IUPACN-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCN5CCC(N6CCCC6)CC5)cc4)c3)CC2)nn1C
InChIInChI=1S/C41H50FN7O3/c1-28-24-38(46-47(28)2)40(51)45-34-14-12-33(13-15-34)44-39(50)37-26-32(42)27-43-41(37)52-36-7-5-6-31(25-36)30-10-8-29(9-11-30)16-21-48-22-17-35(18-23-48)49-19-3-4-20-49/h5-11,24-27,33-35H,3-4,12-23H2,1-2H3,(H,44,50)(H,45,51)
InChIKeyUCFLPCZZROQSNW-UHFFFAOYSA-N
MW707.90 g/mol
LogP6.30
Rot. Bonds11

About N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide

N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 44518336) has the molecular formula C41H50FN7O3 and a molecular weight of 707.90 g/mol. Its IUPAC name is N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide
PubChem CID44518336
Molecular FormulaC41H50FN7O3
Molecular Weight707.90 g/mol
Exact Mass707.40
IUPAC NameN-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCN5CCC(N6CCCC6)CC5)cc4)c3)CC2)nn1C
InChIInChI=1S/C41H50FN7O3/c1-28-24-38(46-47(28)2)40(51)45-34-14-12-33(13-15-34)44-39(50)37-26-32(42)27-43-41(37)52-36-7-5-6-31(25-36)30-10-8-29(9-11-30)16-21-48-22-17-35(18-23-48)49-19-3-4-20-49/h5-11,24-27,33-35H,3-4,12-23H2,1-2H3,(H,44,50)(H,45,51)
InChIKeyUCFLPCZZROQSNW-UHFFFAOYSA-N
XLogP6.30
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide (CID 44518336) is N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide is Cc1cc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCN5CCC(N6CCCC6)CC5)cc4)c3)CC2)nn1C.
What is the InChIKey of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is UCFLPCZZROQSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50FN7O3/c1-28-24-38(46-47(28)2)40(51)45-34-14-12-33(13-15-34)44-39(50)37-26-32(42)27-43-41(37)52-36-7-5-6-31(25-36)30-10-8-29(9-11-30)16-21-48-22-17-35(18-23-48)49-19-3-4-20-49/h5-11,24-27,33-35H,3-4,12-23H2,1-2H3,(H,44,50)(H,45,51).
What are the key properties of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide?
N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 707.90 g/mol, XLogP of 6.30, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 44518336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).