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

C27H30ClFN8O3 — CID 162779133

IUPAC1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2Cl)CCN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F
InChIInChI=1S/C27H30ClFN8O3/c1-16-11-37(34-32-16)23-5-6-24(40-4)26(29)19(23)10-31-27(38)20-13-36(33-22(20)15-39-3)12-17-9-30-21-14-35(2)8-7-18(21)25(17)28/h5-6,9,11,13H,7-8,10,12,14-15H2,1-4H3,(H,31,38)
InChIKeyHDNYQHTVSZSJAA-UHFFFAOYSA-N
MW569.04 g/mol
LogP3.08
Rot. Bonds9

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

1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide (PubChem CID 162779133) has the molecular formula C27H30ClFN8O3 and a molecular weight of 569.04 g/mol. Its IUPAC name is 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
PubChem CID162779133
Molecular FormulaC27H30ClFN8O3
Molecular Weight569.04 g/mol
Exact Mass568.21
IUPAC Name1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2Cl)CCN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F
InChIInChI=1S/C27H30ClFN8O3/c1-16-11-37(34-32-16)23-5-6-24(40-4)26(29)19(23)10-31-27(38)20-13-36(33-22(20)15-39-3)12-17-9-30-21-14-35(2)8-7-18(21)25(17)28/h5-6,9,11,13H,7-8,10,12,14-15H2,1-4H3,(H,31,38)
InChIKeyHDNYQHTVSZSJAA-UHFFFAOYSA-N
XLogP3.08
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.04
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
CID 57389318
US11180484, Example 1
CID 139301824
US11613527, Example 130
CID 156069303
US11613527, Example 2
CID 156069615
US11613527, Example 137
CID 156069645
US11613527, Example 17
CID 156069661
US11613527, Example 128
CID 156069727
US11613527, Example 131
CID 156069930
US11613527, Example 122
CID 156069981
US11613527, Example 115
CID 156069992
US11613527, Example 43
CID 156070020
US11613527, Example 14
CID 156070073

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide (CID 162779133) is 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide is COCc1nn(Cc2cnc3c(c2Cl)CCN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F.
What is the InChIKey of 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The InChIKey is HDNYQHTVSZSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN8O3/c1-16-11-37(34-32-16)23-5-6-24(40-4)26(29)19(23)10-31-27(38)20-13-36(33-22(20)15-39-3)12-17-9-30-21-14-35(2)8-7-18(21)25(17)28/h5-6,9,11,13H,7-8,10,12,14-15H2,1-4H3,(H,31,38).
What are the key properties of 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide has a molecular weight of 569.04 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162779133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).