hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

C18H22N4O2 — CID 161173714

IUPAChexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCCC(C)=O.COc1ncccc1-c1cnn2cccnc12
InChIInChI=1S/C12H10N4O.C6H12O/c1-17-12-9(4-2-5-14-12)10-8-15-16-7-3-6-13-11(10)16;1-3-4-5-6(2)7/h2-8H,1H3;3-5H2,1-2H3
InChIKeyURNHAUXWOXKFPH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.57
Rot. Bonds5

About hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 161173714) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Namehexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID161173714
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namehexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCCC(C)=O.COc1ncccc1-c1cnn2cccnc12
InChIInChI=1S/C12H10N4O.C6H12O/c1-17-12-9(4-2-5-14-12)10-8-15-16-7-3-6-13-11(10)16;1-3-4-5-6(2)7/h2-8H,1H3;3-5H2,1-2H3
InChIKeyURNHAUXWOXKFPH-UHFFFAOYSA-N
XLogP3.57
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682366
7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 175841381
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 175841358
5-pyrazolo[1,5-a]pyrimidin-3-ylquinoline
CID 175931882
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53184947
3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 72892584
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 165459430
4-[3-[2-(cyclopropylmethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid;hexan-2-one;2-methylpentane
CID 176941980

Frequently Asked Questions

What is the IUPAC name of hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 161173714) is hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is CCCCC(C)=O.COc1ncccc1-c1cnn2cccnc12.
What is the InChIKey of hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is URNHAUXWOXKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.C6H12O/c1-17-12-9(4-2-5-14-12)10-8-15-16-7-3-6-13-11(10)16;1-3-4-5-6(2)7/h2-8H,1H3;3-5H2,1-2H3.
What are the key properties of hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 326.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 161173714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).