6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

C39H41F2N7O3 — CID 70295357

IUPAC6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)NCCCc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)C5CN6C=C(F)C=CC6=N5)CC4)c(=O)c4cc(F)cnc43)c2)cc1
InChIInChI=1S/C39H41F2N7O3/c1-24(2)42-18-4-5-25-8-10-26(11-9-25)27-6-3-7-32(19-27)47-36-33(20-29(41)21-43-36)38(50)48(39(47)51)31-15-13-30(14-16-31)44-37(49)34-23-46-22-28(40)12-17-35(46)45-34/h3,6-12,17,19-22,24,30-31,34,42H,4-5,13-16,18,23H2,1-2H3,(H,44,49)
InChIKeyOOVSWLFNRBKJGE-UHFFFAOYSA-N
MW693.80 g/mol
LogP5.35
Rot. Bonds10

About 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 70295357) has the molecular formula C39H41F2N7O3 and a molecular weight of 693.80 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID70295357
Molecular FormulaC39H41F2N7O3
Molecular Weight693.80 g/mol
Exact Mass693.32
IUPAC Name6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)NCCCc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)C5CN6C=C(F)C=CC6=N5)CC4)c(=O)c4cc(F)cnc43)c2)cc1
InChIInChI=1S/C39H41F2N7O3/c1-24(2)42-18-4-5-25-8-10-26(11-9-25)27-6-3-7-32(19-27)47-36-33(20-29(41)21-43-36)38(50)48(39(47)51)31-15-13-30(14-16-31)44-37(49)34-23-46-22-28(40)12-17-35(46)45-34/h3,6-12,17,19-22,24,30-31,34,42H,4-5,13-16,18,23H2,1-2H3,(H,44,49)
InChIKeyOOVSWLFNRBKJGE-UHFFFAOYSA-N
XLogP5.35
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.80
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (CID 70295357) is 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is CC(C)NCCCc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)C5CN6C=C(F)C=CC6=N5)CC4)c(=O)c4cc(F)cnc43)c2)cc1.
What is the InChIKey of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OOVSWLFNRBKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41F2N7O3/c1-24(2)42-18-4-5-25-8-10-26(11-9-25)27-6-3-7-32(19-27)47-36-33(20-29(41)21-43-36)38(50)48(39(47)51)31-15-13-30(14-16-31)44-37(49)34-23-46-22-28(40)12-17-35(46)45-34/h3,6-12,17,19-22,24,30-31,34,42H,4-5,13-16,18,23H2,1-2H3,(H,44,49).
What are the key properties of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 693.80 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-[3-(propan-2-ylamino)propyl]phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 70295357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).