N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C34H37F3N10O2 — CID 146178062

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)N3Cc4cc(Oc5ccnc6nc(-c7cnn(C)c7)[nH]c56)cnc4C(C)C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C34H37F3N10O2/c1-4-45-9-11-46(12-10-45)19-22-5-6-25(14-27(22)34(35,36)37)41-33(48)47-17-21(2)29-23(20-47)13-26(16-39-29)49-28-7-8-38-32-30(28)42-31(43-32)24-15-40-44(3)18-24/h5-8,13-16,18,21H,4,9-12,17,19-20H2,1-3H3,(H,41,48)(H,38,42,43)
InChIKeyUTDZTTSBACWQKW-UHFFFAOYSA-N
MW674.73 g/mol
LogP5.85
Rot. Bonds7

About N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146178062) has the molecular formula C34H37F3N10O2 and a molecular weight of 674.73 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146178062
Molecular FormulaC34H37F3N10O2
Molecular Weight674.73 g/mol
Exact Mass674.31
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)N3Cc4cc(Oc5ccnc6nc(-c7cnn(C)c7)[nH]c56)cnc4C(C)C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C34H37F3N10O2/c1-4-45-9-11-46(12-10-45)19-22-5-6-25(14-27(22)34(35,36)37)41-33(48)47-17-21(2)29-23(20-47)13-26(16-39-29)49-28-7-8-38-32-30(28)42-31(43-32)24-15-40-44(3)18-24/h5-8,13-16,18,21H,4,9-12,17,19-20H2,1-3H3,(H,41,48)(H,38,42,43)
InChIKeyUTDZTTSBACWQKW-UHFFFAOYSA-N
XLogP5.85
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.73
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146178062) is N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is CCN1CCN(Cc2ccc(NC(=O)N3Cc4cc(Oc5ccnc6nc(-c7cnn(C)c7)[nH]c56)cnc4C(C)C3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is UTDZTTSBACWQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N10O2/c1-4-45-9-11-46(12-10-45)19-22-5-6-25(14-27(22)34(35,36)37)41-33(48)47-17-21(2)29-23(20-47)13-26(16-39-29)49-28-7-8-38-32-30(28)42-31(43-32)24-15-40-44(3)18-24/h5-8,13-16,18,21H,4,9-12,17,19-20H2,1-3H3,(H,41,48)(H,38,42,43).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 674.73 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146178062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).