2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one

C25H31N5O2 — CID 110263145

IUPAC2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one
SMILESCc1nc(C2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CCCN2C
InChIInChI=1S/C25H31N5O2/c1-17-19-10-7-13-28(2)24(19)27-23(26-17)21-11-5-6-14-30(21)22(31)12-15-29-16-18-8-3-4-9-20(18)25(29)32/h3-4,8-9,21H,5-7,10-16H2,1-2H3
InChIKeyWKVLODJNKUJYIO-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.27
Rot. Bonds4

About 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one

2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one (PubChem CID 110263145) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one
PubChem CID110263145
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one
SMILESCc1nc(C2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CCCN2C
InChIInChI=1S/C25H31N5O2/c1-17-19-10-7-13-28(2)24(19)27-23(26-17)21-11-5-6-14-30(21)22(31)12-15-29-16-18-8-3-4-9-20(18)25(29)32/h3-4,8-9,21H,5-7,10-16H2,1-2H3
InChIKeyWKVLODJNKUJYIO-UHFFFAOYSA-N
XLogP3.27
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

PK-Thpp
CID 53464059
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093400
2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093402
(4,6-Dimethylpyrimidin-2-yl)-[(1,3-dioxoisoindol-2-yl)methyl]cyanamide
CID 657790
4-(benzhydrylamino)-2-piperazin-1-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25117612
2-(4-acetylpiperazin-1-yl)-4-(benzhydrylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431796
2-[4-[4-(benzhydrylamino)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylacetamide
CID 57431802
2-(4-acetylpiperazin-1-yl)-4-(isoquinolin-3-ylmethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431852
2-(4-acetylpiperazin-1-yl)-4-[isoquinolin-3-ylmethyl(methyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480972
[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-phenylmethanone
CID 71695913
2-[3-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]isoindole-1,3-dione
CID 135260424

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one?
The IUPAC name of 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one (CID 110263145) is 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one is Cc1nc(C2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CCCN2C.
What is the InChIKey of 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one?
The InChIKey is WKVLODJNKUJYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-19-10-7-13-28(2)24(19)27-23(26-17)21-11-5-6-14-30(21)22(31)12-15-29-16-18-8-3-4-9-20(18)25(29)32/h3-4,8-9,21H,5-7,10-16H2,1-2H3.
What are the key properties of 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one?
2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one has a molecular weight of 433.56 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-isoindol-1-one is sourced from PubChem (CID 110263145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).