N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide

C19H15FN4O3 — CID 54729455

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide
SMILESCn1c2ccccc2c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n21
InChIInChI=1S/C19H15FN4O3/c1-23-14-5-3-2-4-13(14)17-22-15(16(25)19(27)24(17)23)18(26)21-10-11-6-8-12(20)9-7-11/h2-9,25H,10H2,1H3,(H,21,26)
InChIKeyNUNJVNQFSSLROH-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.96
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide (PubChem CID 54729455) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide
PubChem CID54729455
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide
SMILESCn1c2ccccc2c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n21
InChIInChI=1S/C19H15FN4O3/c1-23-14-5-3-2-4-13(14)17-22-15(16(25)19(27)24(17)23)18(26)21-10-11-6-8-12(20)9-7-11/h2-9,25H,10H2,1H3,(H,21,26)
InChIKeyNUNJVNQFSSLROH-UHFFFAOYSA-N
XLogP1.96
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide (CID 54729455) is N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide is Cn1c2ccccc2c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide?
The InChIKey is NUNJVNQFSSLROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-23-14-5-3-2-4-13(14)17-22-15(16(25)19(27)24(17)23)18(26)21-10-11-6-8-12(20)9-7-11/h2-9,25H,10H2,1H3,(H,21,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxopyrimido[1,2-b]indazole-2-carboxamide is sourced from PubChem (CID 54729455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).