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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Related Compounds

2-[4-Methyl-2-oxopyrimido[1,2-B]indazol-6(2H)-YL]-N-(3-morpholinopropyl)acetamide
CID 3249111
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N,N-dipropylacetamide
CID 4106305
N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083532
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083540
N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 3453492
N-cyclohexyl-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide
CID 5072344
N-[4-(acetylamino)phenyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083541
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide
CID 3249106
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)-N-(pentafluorophenyl)propanamide
CID 3363950
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-B]indazol-6-YL}acetamide
CID 3433218
N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5075453
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 22511410

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).