2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

C36H41FN6O2 — CID 126676209

IUPAC2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCC(c1ccc(-c2ccc(COC3CCC[C@@H]3NC(=O)c3cc(-c4ccc(F)nc4)cnc3N)cc2)cc1)N1CCN(C)CC1
InChIInChI=1S/C36H41FN6O2/c1-24(43-18-16-42(2)17-19-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-33-5-3-4-32(33)41-36(44)31-20-30(22-40-35(31)38)29-14-15-34(37)39-21-29/h6-15,20-22,24,32-33H,3-5,16-19,23H2,1-2H3,(H2,38,40)(H,41,44)/t24?,32-,33?/m0/s1
InChIKeyCDMHBZZLPYPWBG-PIHHZUSTSA-N
MW608.76 g/mol
LogP5.71
Rot. Bonds9

About 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide (PubChem CID 126676209) has the molecular formula C36H41FN6O2 and a molecular weight of 608.76 g/mol. Its IUPAC name is 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide
PubChem CID126676209
Molecular FormulaC36H41FN6O2
Molecular Weight608.76 g/mol
Exact Mass608.33
IUPAC Name2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCC(c1ccc(-c2ccc(COC3CCC[C@@H]3NC(=O)c3cc(-c4ccc(F)nc4)cnc3N)cc2)cc1)N1CCN(C)CC1
InChIInChI=1S/C36H41FN6O2/c1-24(43-18-16-42(2)17-19-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-33-5-3-4-32(33)41-36(44)31-20-30(22-40-35(31)38)29-14-15-34(37)39-21-29/h6-15,20-22,24,32-33H,3-5,16-19,23H2,1-2H3,(H2,38,40)(H,41,44)/t24?,32-,33?/m0/s1
InChIKeyCDMHBZZLPYPWBG-PIHHZUSTSA-N
XLogP5.71
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.76
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide (CID 126676209) is 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide is CC(c1ccc(-c2ccc(COC3CCC[C@@H]3NC(=O)c3cc(-c4ccc(F)nc4)cnc3N)cc2)cc1)N1CCN(C)CC1.
What is the InChIKey of 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is CDMHBZZLPYPWBG-PIHHZUSTSA-N. The full InChI is InChI=1S/C36H41FN6O2/c1-24(43-18-16-42(2)17-19-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-33-5-3-4-32(33)41-36(44)31-20-30(22-40-35(31)38)29-14-15-34(37)39-21-29/h6-15,20-22,24,32-33H,3-5,16-19,23H2,1-2H3,(H2,38,40)(H,41,44)/t24?,32-,33?/m0/s1.
What are the key properties of 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide?
2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 608.76 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(6-fluoro-3-pyridinyl)-N-[(1S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126676209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).