6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

C14H16N6O — CID 95719088

IUPAC6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2ncn([C@H](c3nccn3C)C3CC3)c(=O)c2n1
InChIInChI=1S/C14H16N6O/c1-18-6-5-15-13(18)12(9-3-4-9)20-8-16-10-7-19(2)17-11(10)14(20)21/h5-9,12H,3-4H2,1-2H3/t12-/m0/s1
InChIKeyBOXAEWCPGSSTIG-LBPRGKRZSA-N
MW284.32 g/mol
LogP0.86
Rot. Bonds3

About 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 95719088) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID95719088
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2ncn([C@H](c3nccn3C)C3CC3)c(=O)c2n1
InChIInChI=1S/C14H16N6O/c1-18-6-5-15-13(18)12(9-3-4-9)20-8-16-10-7-19(2)17-11(10)14(20)21/h5-9,12H,3-4H2,1-2H3/t12-/m0/s1
InChIKeyBOXAEWCPGSSTIG-LBPRGKRZSA-N
XLogP0.86
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine
CID 95128183
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one
CID 63760635
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436818
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (CID 95719088) is 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is Cn1cc2ncn([C@H](c3nccn3C)C3CC3)c(=O)c2n1.
What is the InChIKey of 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is BOXAEWCPGSSTIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N6O/c1-18-6-5-15-13(18)12(9-3-4-9)20-8-16-10-7-19(2)17-11(10)14(20)21/h5-9,12H,3-4H2,1-2H3/t12-/m0/s1.
What are the key properties of 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 284.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 95719088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).