4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide

C35H35FN8O5 — CID 156871758

IUPAC4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NCC5CCCN(C)C5)cc34)cn2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H35FN8O5/c1-21(2)43-20-27(34(47)44(35(43)48)24-8-6-23(36)7-9-24)32(45)41-31-11-10-25(17-39-31)49-30-12-13-37-29-18-38-28(15-26(29)30)33(46)40-16-22-5-4-14-42(3)19-22/h6-13,15,17-18,20-22H,4-5,14,16,19H2,1-3H3,(H,40,46)(H,39,41,45)
InChIKeyMCZXWOMVJMURJT-UHFFFAOYSA-N
MW666.71 g/mol
LogP4.17
Rot. Bonds9

About 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide

4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide (PubChem CID 156871758) has the molecular formula C35H35FN8O5 and a molecular weight of 666.71 g/mol. Its IUPAC name is 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide
PubChem CID156871758
Molecular FormulaC35H35FN8O5
Molecular Weight666.71 g/mol
Exact Mass666.27
IUPAC Name4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NCC5CCCN(C)C5)cc34)cn2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H35FN8O5/c1-21(2)43-20-27(34(47)44(35(43)48)24-8-6-23(36)7-9-24)32(45)41-31-11-10-25(17-39-31)49-30-12-13-37-29-18-38-28(15-26(29)30)33(46)40-16-22-5-4-14-42(3)19-22/h6-13,15,17-18,20-22H,4-5,14,16,19H2,1-3H3,(H,40,46)(H,39,41,45)
InChIKeyMCZXWOMVJMURJT-UHFFFAOYSA-N
XLogP4.17
TPSA153.34 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.71
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide (CID 156871758) is 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NCC5CCCN(C)C5)cc34)cn2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide?
The InChIKey is MCZXWOMVJMURJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN8O5/c1-21(2)43-20-27(34(47)44(35(43)48)24-8-6-23(36)7-9-24)32(45)41-31-11-10-25(17-39-31)49-30-12-13-37-29-18-38-28(15-26(29)30)33(46)40-16-22-5-4-14-42(3)19-22/h6-13,15,17-18,20-22H,4-5,14,16,19H2,1-3H3,(H,40,46)(H,39,41,45).
What are the key properties of 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide?
4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide has a molecular weight of 666.71 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 156871758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).