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

C29H35FN8O3 — CID 162779256

IUPACN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2)CCN(C(C)C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F
InChIInChI=1S/C29H35FN8O3/c1-18(2)36-9-8-21-10-20(11-31-24(21)16-36)14-37-15-23(25(34-37)17-40-4)29(39)32-12-22-26(38-13-19(3)33-35-38)6-7-27(41-5)28(22)30/h6-7,10-11,13,15,18H,8-9,12,14,16-17H2,1-5H3,(H,32,39)
InChIKeyQGVSETSYGVGJFH-UHFFFAOYSA-N
MW562.65 g/mol
LogP3.21
Rot. Bonds10

About N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 162779256) has the molecular formula C29H35FN8O3 and a molecular weight of 562.65 g/mol. Its IUPAC name is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID162779256
Molecular FormulaC29H35FN8O3
Molecular Weight562.65 g/mol
Exact Mass562.28
IUPAC NameN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2)CCN(C(C)C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F
InChIInChI=1S/C29H35FN8O3/c1-18(2)36-9-8-21-10-20(11-31-24(21)16-36)14-37-15-23(25(34-37)17-40-4)29(39)32-12-22-26(38-13-19(3)33-35-38)6-7-27(41-5)28(22)30/h6-7,10-11,13,15,18H,8-9,12,14,16-17H2,1-5H3,(H,32,39)
InChIKeyQGVSETSYGVGJFH-UHFFFAOYSA-N
XLogP3.21
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.65
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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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, Reference Example K
CID 132203422
US11180484, Example 86
CID 139301811
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
US10344025, Example 72
CID 118640282
US10344025, Example 368
CID 118640364
US10344025, Example 370
CID 118640369

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-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide (CID 162779256) is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-propan-2-yl-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-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide is COCc1nn(Cc2cnc3c(c2)CCN(C(C)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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QGVSETSYGVGJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN8O3/c1-18(2)36-9-8-21-10-20(11-31-24(21)16-36)14-37-15-23(25(34-37)17-40-4)29(39)32-12-22-26(38-13-19(3)33-35-38)6-7-27(41-5)28(22)30/h6-7,10-11,13,15,18H,8-9,12,14,16-17H2,1-5H3,(H,32,39).
What are the key properties of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)-1-[(7-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 562.65 g/mol, XLogP of 3.21, 10 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-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162779256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).