1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C19H27N7O — CID 56861915

IUPAC1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CC2N=NC3=C2CCC3)C1
InChIInChI=1S/C19H27N7O/c1-12(27)26-9-8-14-16(11-26)20-19(24(2)3)21-18(14)25(4)10-17-13-6-5-7-15(13)22-23-17/h17H,5-11H2,1-4H3
InChIKeyYCZNKSNPIMMMAL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56861915) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56861915
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CC2N=NC3=C2CCC3)C1
InChIInChI=1S/C19H27N7O/c1-12(27)26-9-8-14-16(11-26)20-19(24(2)3)21-18(14)25(4)10-17-13-6-5-7-15(13)22-23-17/h17H,5-11H2,1-4H3
InChIKeyYCZNKSNPIMMMAL-UHFFFAOYSA-N
XLogP2.16
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

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Related Compounds

1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461
1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95552450
1-[4-(cycloheptylamino)-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70711655
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
CID 56898722
(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one
CID 95559807
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 118778160
1-[4-[[(2R)-2,3-dihydroxypropyl]-methylamino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95476545
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 56874672
1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70755588
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 56880084
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
CID 118771885

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56861915) is 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CC2N=NC3=C2CCC3)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is YCZNKSNPIMMMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-12(27)26-9-8-14-16(11-26)20-19(24(2)3)21-18(14)25(4)10-17-13-6-5-7-15(13)22-23-17/h17H,5-11H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56861915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).