6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

C39H37F2N7O4 — CID 25173404

IUPAC6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(OCCN5CCCC5)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C39H37F2N7O4/c40-27-8-15-35-44-34(24-46(35)23-27)37(49)43-29-9-11-30(12-10-29)48-38(50)33-21-28(41)22-42-36(33)47(39(48)51)31-5-3-4-26(20-31)25-6-13-32(14-7-25)52-19-18-45-16-1-2-17-45/h3-8,13-15,20-24,29-30H,1-2,9-12,16-19H2,(H,43,49)
InChIKeyGGPXXDRLWOFVRR-UHFFFAOYSA-N
MW705.77 g/mol
LogP5.53
Rot. Bonds9

About 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25173404) has the molecular formula C39H37F2N7O4 and a molecular weight of 705.77 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25173404
Molecular FormulaC39H37F2N7O4
Molecular Weight705.77 g/mol
Exact Mass705.29
IUPAC Name6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(OCCN5CCCC5)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C39H37F2N7O4/c40-27-8-15-35-44-34(24-46(35)23-27)37(49)43-29-9-11-30(12-10-29)48-38(50)33-21-28(41)22-42-36(33)47(39(48)51)31-5-3-4-26(20-31)25-6-13-32(14-7-25)52-19-18-45-16-1-2-17-45/h3-8,13-15,20-24,29-30H,1-2,9-12,16-19H2,(H,43,49)
InChIKeyGGPXXDRLWOFVRR-UHFFFAOYSA-N
XLogP5.53
TPSA115.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.77
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[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-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 25173404) is 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(OCCN5CCCC5)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GGPXXDRLWOFVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37F2N7O4/c40-27-8-15-35-44-34(24-46(35)23-27)37(49)43-29-9-11-30(12-10-29)48-38(50)33-21-28(41)22-42-36(33)47(39(48)51)31-5-3-4-26(20-31)25-6-13-32(14-7-25)52-19-18-45-16-1-2-17-45/h3-8,13-15,20-24,29-30H,1-2,9-12,16-19H2,(H,43,49).
What are the key properties of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 705.77 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25173404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).