N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide

C19H17FN4O3 — CID 167951972

IUPACN-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1ccc(F)c(-n2cc(O)c(C(=O)Nc3cnc4c(c3)COCC4)n2)c1
InChIInChI=1S/C19H17FN4O3/c1-11-2-3-14(20)16(6-11)24-9-17(25)18(23-24)19(26)22-13-7-12-10-27-5-4-15(12)21-8-13/h2-3,6-9,25H,4-5,10H2,1H3,(H,22,26)
InChIKeyMYQJRJKBLSVTCX-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.75
Rot. Bonds3

About N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide

N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 167951972) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID167951972
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1ccc(F)c(-n2cc(O)c(C(=O)Nc3cnc4c(c3)COCC4)n2)c1
InChIInChI=1S/C19H17FN4O3/c1-11-2-3-14(20)16(6-11)24-9-17(25)18(23-24)19(26)22-13-7-12-10-27-5-4-15(12)21-8-13/h2-3,6-9,25H,4-5,10H2,1H3,(H,22,26)
InChIKeyMYQJRJKBLSVTCX-UHFFFAOYSA-N
XLogP2.75
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide (CID 167951972) is N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide is Cc1ccc(F)c(-n2cc(O)c(C(=O)Nc3cnc4c(c3)COCC4)n2)c1.
What is the InChIKey of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is MYQJRJKBLSVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11-2-3-14(20)16(6-11)24-9-17(25)18(23-24)19(26)22-13-7-12-10-27-5-4-15(12)21-8-13/h2-3,6-9,25H,4-5,10H2,1H3,(H,22,26).
What are the key properties of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 167951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).