2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

C19H26N6O2 — CID 137296107

IUPAC2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)C3CC(c4cccn4C)NN3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H26N6O2/c1-12-20-14(11-18(26)21-12)13-5-8-25(9-6-13)19(27)16-10-15(22-23-16)17-4-3-7-24(17)2/h3-4,7,11,13,15-16,22-23H,5-6,8-10H2,1-2H3,(H,20,21,26)
InChIKeyWUWDNTXYIQOZPM-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.73
Rot. Bonds3

About 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 137296107) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID137296107
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)C3CC(c4cccn4C)NN3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H26N6O2/c1-12-20-14(11-18(26)21-12)13-5-8-25(9-6-13)19(27)16-10-15(22-23-16)17-4-3-7-24(17)2/h3-4,7,11,13,15-16,22-23H,5-6,8-10H2,1-2H3,(H,20,21,26)
InChIKeyWUWDNTXYIQOZPM-UHFFFAOYSA-N
XLogP0.73
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136715636
2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 155505565
2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135890725
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 154820440
2-methyl-4-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135858684
2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136845342
2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136799315
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 154567672
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 137296107) is 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)C3CC(c4cccn4C)NN3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is WUWDNTXYIQOZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-20-14(11-18(26)21-12)13-5-8-25(9-6-13)19(27)16-10-15(22-23-16)17-4-3-7-24(17)2/h3-4,7,11,13,15-16,22-23H,5-6,8-10H2,1-2H3,(H,20,21,26).
What are the key properties of 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 370.46 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137296107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).