4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C19H24N6O2 — CID 124947748

IUPAC4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc([C@]2(C)CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2C
InChIInChI=1S/C19H24N6O2/c1-12-14-8-15(26)24(4)16(14)22-18(21-12)19(2)6-5-7-25(11-19)17(27)13-9-20-23(3)10-13/h9-10H,5-8,11H2,1-4H3/t19-/m1/s1
InChIKeyCHTCOGIDXOHVMT-LJQANCHMSA-N
MW368.44 g/mol
LogP1.23
Rot. Bonds2

About 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 124947748) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID124947748
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc([C@]2(C)CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2C
InChIInChI=1S/C19H24N6O2/c1-12-14-8-15(26)24(4)16(14)22-18(21-12)19(2)6-5-7-25(11-19)17(27)13-9-20-23(3)10-13/h9-10H,5-8,11H2,1-4H3/t19-/m1/s1
InChIKeyCHTCOGIDXOHVMT-LJQANCHMSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one 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

2-[(3R)-1-(3-fluorobenzoyl)-3-methylpiperidin-3-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 125009099
4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124989804
2-[(3S)-1-(3-fluorobenzoyl)-3-methylpiperidin-3-yl]-7-(2-methoxyethyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124945984
4-methyl-2-[3-methyl-1-(oxane-4-carbonyl)piperidin-3-yl]-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110100129
5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone
CID 134410819
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
CID 124886336
[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124941950
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 124947748) is 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc([C@]2(C)CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2C.
What is the InChIKey of 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is CHTCOGIDXOHVMT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-14-8-15(26)24(4)16(14)22-18(21-12)19(2)6-5-7-25(11-19)17(27)13-9-20-23(3)10-13/h9-10H,5-8,11H2,1-4H3/t19-/m1/s1.
What are the key properties of 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 368.44 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 124947748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).