7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine

C12H11FN4 — CID 151820760

IUPAC7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCn1cc(C2=CCN3C=C(F)C=CC3=N2)cn1
InChIInChI=1S/C12H11FN4/c1-16-7-9(6-14-16)11-4-5-17-8-10(13)2-3-12(17)15-11/h2-4,6-8H,5H2,1H3
InChIKeySCORINUSVVAFCM-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.86
Rot. Bonds1

About 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine

7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 151820760) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID151820760
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCn1cc(C2=CCN3C=C(F)C=CC3=N2)cn1
InChIInChI=1S/C12H11FN4/c1-16-7-9(6-14-16)11-4-5-17-8-10(13)2-3-12(17)15-11/h2-4,6-8H,5H2,1H3
InChIKeySCORINUSVVAFCM-UHFFFAOYSA-N
XLogP1.86
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-(1-methyl-1H-pyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 89741317
6-(1-methylpyrazol-4-yl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106716261
6-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776744
6-(1-propylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776751
6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113868904
6-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 113875991
N'-methyl-2-[[[(E)-2-(1-methylpyrazol-4-yl)ethenyl]amino]methyl]-N-[(3E,5E)-7,7,7-trifluoro-4-methylhepta-1,3,5-trien-3-yl]prop-2-enimidamide
CID 144319123
6-(1-Methylpyrazol-4-yl)-1,4-dihydropyrimidine
CID 90884896
6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine
CID 137257070
4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile
CID 143460546
ethane;N'-methyl-N-[1-(1-methylpyrazol-4-yl)ethenyl]cyclohepta-1,4,6-triene-1-carboximidamide
CID 143529359
(3E)-3-(1-chloroethylidene)-5-(1-methylpyrazol-4-yl)-N-propyl-1H-pyrrol-2-imine
CID 144863038

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine (CID 151820760) is 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine is Cn1cc(C2=CCN3C=C(F)C=CC3=N2)cn1.
What is the InChIKey of 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is SCORINUSVVAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-16-7-9(6-14-16)11-4-5-17-8-10(13)2-3-12(17)15-11/h2-4,6-8H,5H2,1H3.
What are the key properties of 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine?
7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 230.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 151820760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).