N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

C20H21FN6O3 — CID 71593624

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1c1ccn[nH]1
InChIInChI=1S/C20H21FN6O3/c1-20(2)19-24-15(17(29)22-11-12-3-5-13(21)6-4-12)16(28)18(30)26(19)9-10-27(20)14-7-8-23-25-14/h3-8,28H,9-11H2,1-2H3,(H,22,29)(H,23,25)
InChIKeyZUIXBVYWCVMCOA-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.50
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 71593624) has the molecular formula C20H21FN6O3 and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID71593624
Molecular FormulaC20H21FN6O3
Molecular Weight412.43 g/mol
Exact Mass412.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1c1ccn[nH]1
InChIInChI=1S/C20H21FN6O3/c1-20(2)19-24-15(17(29)22-11-12-3-5-13(21)6-4-12)16(28)18(30)26(19)9-10-27(20)14-7-8-23-25-14/h3-8,28H,9-11H2,1-2H3,(H,22,29)(H,23,25)
InChIKeyZUIXBVYWCVMCOA-UHFFFAOYSA-N
XLogP1.50
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 71593624) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1c1ccn[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ZUIXBVYWCVMCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3/c1-20(2)19-24-15(17(29)22-11-12-3-5-13(21)6-4-12)16(28)18(30)26(19)9-10-27(20)14-7-8-23-25-14/h3-8,28H,9-11H2,1-2H3,(H,22,29)(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-yl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71593624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).