N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide

C23H19N5O2 — CID 162763829

IUPACN-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1nn(C)c(C)c1-c1cccc2cc(C(=O)Nc3ccc4cnccc4n3)oc12
InChIInChI=1S/C23H19N5O2/c1-13-21(14(2)28(3)27-13)17-6-4-5-15-11-19(30-22(15)17)23(29)26-20-8-7-16-12-24-10-9-18(16)25-20/h4-12H,1-3H3,(H,25,26,29)
InChIKeyIQBVTLIGSKPECA-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.65
Rot. Bonds3

About N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide

N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 162763829) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
PubChem CID162763829
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1nn(C)c(C)c1-c1cccc2cc(C(=O)Nc3ccc4cnccc4n3)oc12
InChIInChI=1S/C23H19N5O2/c1-13-21(14(2)28(3)27-13)17-6-4-5-15-11-19(30-22(15)17)23(29)26-20-8-7-16-12-24-10-9-18(16)25-20/h4-12H,1-3H3,(H,25,26,29)
InChIKeyIQBVTLIGSKPECA-UHFFFAOYSA-N
XLogP4.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763857
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
2-(5-methyl-2-furyl)-N-(2-pyridinyl)-4-quinolinecarboxamide
CID 1221931
4-[5-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917635
3-[4-[1-(1-Acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide
CID 53378489
1-[4-[4-[7-Amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 53378808
1-[4-[4-(7-Amino-2-phenylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66759520
1-[4-[4-[7-Amino-2-(3-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760342
1-[4-[4-(7-Amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760349
1-[4-[4-[7-Amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760411
1-[3-[4-[1-(1-Acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone
CID 66760608

Frequently Asked Questions

What is the IUPAC name of N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide (CID 162763829) is N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide is Cc1nn(C)c(C)c1-c1cccc2cc(C(=O)Nc3ccc4cnccc4n3)oc12.
What is the InChIKey of N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is IQBVTLIGSKPECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-13-21(14(2)28(3)27-13)17-6-4-5-15-11-19(30-22(15)17)23(29)26-20-8-7-16-12-24-10-9-18(16)25-20/h4-12H,1-3H3,(H,25,26,29).
What are the key properties of N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-naphthyridin-2-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).