2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one

C20H20N6O — CID 129077393

IUPAC2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
SMILESCn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(CC2CC2)C3)n1
InChIInChI=1S/C20H20N6O/c1-25-18(7-9-22-25)24-20-21-8-6-17(23-20)14-4-5-15-12-26(11-13-2-3-13)19(27)16(15)10-14/h4-10,13H,2-3,11-12H2,1H3,(H,21,23,24)
InChIKeyVPVJIVFZVGXTSA-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.99
Rot. Bonds5

About 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one

2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one (PubChem CID 129077393) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
PubChem CID129077393
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
SMILESCn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(CC2CC2)C3)n1
InChIInChI=1S/C20H20N6O/c1-25-18(7-9-22-25)24-20-21-8-6-17(23-20)14-4-5-15-12-26(11-13-2-3-13)19(27)16(15)10-14/h4-10,13H,2-3,11-12H2,1H3,(H,21,23,24)
InChIKeyVPVJIVFZVGXTSA-UHFFFAOYSA-N
XLogP2.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 163423794
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
4-[3-[(4-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216827
4-[1-[(3,3-difluorocyclobutyl)methyl]benzotriazol-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118219151
4-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118217044
4-[3-[2-(cyclopropylmethoxy)propyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216594
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
4-[1-[2-(2-chlorophenyl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 130204317
N-(2-methylpyrazol-3-yl)-4-[12-[(2-methylpyrazol-3-yl)methyl]-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl]pyrimidin-2-amine
CID 118143216
N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 130204467
N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
CID 130204452
cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 123632329

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one (CID 129077393) is 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one is Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(CC2CC2)C3)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one?
The InChIKey is VPVJIVFZVGXTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-18(7-9-22-25)24-20-21-8-6-17(23-20)14-4-5-15-12-26(11-13-2-3-13)19(27)16(15)10-14/h4-10,13H,2-3,11-12H2,1H3,(H,21,23,24).
What are the key properties of 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one?
2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one has a molecular weight of 360.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 129077393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).