2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

C20H19N7O — CID 70303587

IUPAC2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCN(CCc1ccncc1)c1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1
InChIInChI=1S/C20H19N7O/c1-26(10-6-15-4-8-21-9-5-15)18-11-19(24-14-23-18)27-20(28)17(13-25-27)16-3-2-7-22-12-16/h2-5,7-9,11-14,25H,6,10H2,1H3
InChIKeyFNRXIENXXDQYSL-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.09
Rot. Bonds6

About 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 70303587) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID70303587
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCN(CCc1ccncc1)c1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1
InChIInChI=1S/C20H19N7O/c1-26(10-6-15-4-8-21-9-5-15)18-11-19(24-14-23-18)27-20(28)17(13-25-27)16-3-2-7-22-12-16/h2-5,7-9,11-14,25H,6,10H2,1H3
InChIKeyFNRXIENXXDQYSL-UHFFFAOYSA-N
XLogP2.09
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 25073750
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806
4-pyridin-3-yl-2-[5-(pyrrol-1-ylmethyl)-2-pyridinyl]-1H-pyrazol-3-one;hydrochloride
CID 68716849
2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one;dihydrochloride
CID 68805085
2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
CID 141255098
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide
CID 59186984
N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112861801
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
CID 68706385
2-[4-[(cyclohexylmethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24897730
2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 59280215
4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride
CID 68805384

Frequently Asked Questions

What is the IUPAC name of 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one (CID 70303587) is 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one is CN(CCc1ccncc1)c1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1.
What is the InChIKey of 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is FNRXIENXXDQYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-26(10-6-15-4-8-21-9-5-15)18-11-19(24-14-23-18)27-20(28)17(13-25-27)16-3-2-7-22-12-16/h2-5,7-9,11-14,25H,6,10H2,1H3.
What are the key properties of 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 373.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 70303587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).