4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide

C34H33FN8O4 — CID 156871856

IUPAC4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NC5CCN(C)CC5)cc34)cn2)c(=O)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C34H33FN8O4/c1-20(2)43-18-25(27-6-4-21(35)15-37-27)32(44)26(19-43)33(45)41-31-7-5-23(16-39-31)47-30-8-11-36-29-17-38-28(14-24(29)30)34(46)40-22-9-12-42(3)13-10-22/h4-8,11,14-20,22H,9-10,12-13H2,1-3H3,(H,40,46)(H,39,41,45)
InChIKeyIDYYCPPRLDAMFI-UHFFFAOYSA-N
MW636.69 g/mol
LogP4.84
Rot. Bonds8

About 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide

4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide (PubChem CID 156871856) has the molecular formula C34H33FN8O4 and a molecular weight of 636.69 g/mol. Its IUPAC name is 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
PubChem CID156871856
Molecular FormulaC34H33FN8O4
Molecular Weight636.69 g/mol
Exact Mass636.26
IUPAC Name4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NC5CCN(C)CC5)cc34)cn2)c(=O)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C34H33FN8O4/c1-20(2)43-18-25(27-6-4-21(35)15-37-27)32(44)26(19-43)33(45)41-31-7-5-23(16-39-31)47-30-8-11-36-29-17-38-28(14-24(29)30)34(46)40-22-9-12-42(3)13-10-22/h4-8,11,14-20,22H,9-10,12-13H2,1-3H3,(H,40,46)(H,39,41,45)
InChIKeyIDYYCPPRLDAMFI-UHFFFAOYSA-N
XLogP4.84
TPSA144.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.69
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide (CID 156871856) is 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NC5CCN(C)CC5)cc34)cn2)c(=O)c(-c2ccc(F)cn2)c1.
What is the InChIKey of 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
The InChIKey is IDYYCPPRLDAMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O4/c1-20(2)43-18-25(27-6-4-21(35)15-37-27)32(44)26(19-43)33(45)41-31-7-5-23(16-39-31)47-30-8-11-36-29-17-38-28(14-24(29)30)34(46)40-22-9-12-42(3)13-10-22/h4-8,11,14-20,22H,9-10,12-13H2,1-3H3,(H,40,46)(H,39,41,45).
What are the key properties of 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide has a molecular weight of 636.69 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 156871856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).