5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C18H25N7 — CID 92555636

IUPAC5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc([C@@H]3CCCN(Cc4cn(C)nc4C)C3)cc(N)n2n1
InChIInChI=1S/C18H25N7/c1-12-7-18-20-16(8-17(19)25(18)21-12)14-5-4-6-24(10-14)11-15-9-23(3)22-13(15)2/h7-9,14H,4-6,10-11,19H2,1-3H3/t14-/m1/s1
InChIKeyHLAYDFQAIFUEDY-CQSZACIVSA-N
MW339.45 g/mol
LogP2.04
Rot. Bonds3

About 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 92555636) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID92555636
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc([C@@H]3CCCN(Cc4cn(C)nc4C)C3)cc(N)n2n1
InChIInChI=1S/C18H25N7/c1-12-7-18-20-16(8-17(19)25(18)21-12)14-5-4-6-24(10-14)11-15-9-23(3)22-13(15)2/h7-9,14H,4-6,10-11,19H2,1-3H3/t14-/m1/s1
InChIKeyHLAYDFQAIFUEDY-CQSZACIVSA-N
XLogP2.04
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 110220484
5-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589345
5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589156
5-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46960718
2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 124827161
4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 46953318
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 155982441
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 92555636) is 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc([C@@H]3CCCN(Cc4cn(C)nc4C)C3)cc(N)n2n1.
What is the InChIKey of 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HLAYDFQAIFUEDY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N7/c1-12-7-18-20-16(8-17(19)25(18)21-12)14-5-4-6-24(10-14)11-15-9-23(3)22-13(15)2/h7-9,14H,4-6,10-11,19H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 92555636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).