N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide

C30H28N8O2 — CID 145035275

IUPACN-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN1CN=C(c2nc3nccc(-c4ccoc4)c3[nH]2)c2cc(-c3cncc(NC(=O)C4CCCCC4)c3)ncc21
InChIInChI=1S/C30H28N8O2/c1-38-17-34-26(29-36-27-22(19-8-10-40-16-19)7-9-32-28(27)37-29)23-12-24(33-15-25(23)38)20-11-21(14-31-13-20)35-30(39)18-5-3-2-4-6-18/h7-16,18H,2-6,17H2,1H3,(H,35,39)(H,32,36,37)
InChIKeyXWGCYRBDWPJVNW-UHFFFAOYSA-N
MW532.61 g/mol
LogP5.44
Rot. Bonds5

About N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 145035275) has the molecular formula C30H28N8O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID145035275
Molecular FormulaC30H28N8O2
Molecular Weight532.61 g/mol
Exact Mass532.23
IUPAC NameN-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN1CN=C(c2nc3nccc(-c4ccoc4)c3[nH]2)c2cc(-c3cncc(NC(=O)C4CCCCC4)c3)ncc21
InChIInChI=1S/C30H28N8O2/c1-38-17-34-26(29-36-27-22(19-8-10-40-16-19)7-9-32-28(27)37-29)23-12-24(33-15-25(23)38)20-11-21(14-31-13-20)35-30(39)18-5-3-2-4-6-18/h7-16,18H,2-6,17H2,1H3,(H,35,39)(H,32,36,37)
InChIKeyXWGCYRBDWPJVNW-UHFFFAOYSA-N
XLogP5.44
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.61
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 145035275) is N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide is CN1CN=C(c2nc3nccc(-c4ccoc4)c3[nH]2)c2cc(-c3cncc(NC(=O)C4CCCCC4)c3)ncc21.
What is the InChIKey of N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is XWGCYRBDWPJVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O2/c1-38-17-34-26(29-36-27-22(19-8-10-40-16-19)7-9-32-28(27)37-29)23-12-24(33-15-25(23)38)20-11-21(14-31-13-20)35-30(39)18-5-3-2-4-6-18/h7-16,18H,2-6,17H2,1H3,(H,35,39)(H,32,36,37).
What are the key properties of N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 532.61 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 145035275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).