N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide

C27H31FN8O3 — CID 162779229

IUPACN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2)CCN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F
InChIInChI=1S/C27H31FN8O3/c1-17-12-36(33-31-17)24-5-6-25(39-4)26(28)20(24)11-30-27(37)21-14-35(32-23(21)16-38-3)13-18-9-19-7-8-34(2)15-22(19)29-10-18/h5-6,9-10,12,14H,7-8,11,13,15-16H2,1-4H3,(H,30,37)
InChIKeyUBSRYGOWEWDVGY-UHFFFAOYSA-N
MW534.60 g/mol
LogP2.43
Rot. Bonds9

About N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide

N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 162779229) has the molecular formula C27H31FN8O3 and a molecular weight of 534.60 g/mol. Its IUPAC name is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID162779229
Molecular FormulaC27H31FN8O3
Molecular Weight534.60 g/mol
Exact Mass534.25
IUPAC NameN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2)CCN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F
InChIInChI=1S/C27H31FN8O3/c1-17-12-36(33-31-17)24-5-6-25(39-4)26(28)20(24)11-30-27(37)21-14-35(32-23(21)16-38-3)13-18-9-19-7-8-34(2)15-22(19)29-10-18/h5-6,9-10,12,14H,7-8,11,13,15-16H2,1-4H3,(H,30,37)
InChIKeyUBSRYGOWEWDVGY-UHFFFAOYSA-N
XLogP2.43
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.60
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

Sebetralstat
CID 121365142
Feniralstat
CID 139301832
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
CID 57389318
US10364238, Example 42
CID 121365159
US11180484, Example 22
CID 139301877
US11180484, Reference Example K
CID 132203422
US11180484, Example 86
CID 139301811
US11180484, Example 39
CID 139301841
N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 139301849
US11180484, Example 87
CID 139301856
N-[(4-ethoxy-3-fluoro-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168278399
US10364238, Example 40
CID 121365155

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide (CID 162779229) is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide is COCc1nn(Cc2cnc3c(c2)CCN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F.
What is the InChIKey of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is UBSRYGOWEWDVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O3/c1-17-12-36(33-31-17)24-5-6-25(39-4)26(28)20(24)11-30-27(37)21-14-35(32-23(21)16-38-3)13-18-9-19-7-8-34(2)15-22(19)29-10-18/h5-6,9-10,12,14H,7-8,11,13,15-16H2,1-4H3,(H,30,37).
What are the key properties of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 534.60 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162779229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).