cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine

C13H18N4 — CID 124542772

IUPACcis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1nn(C)c2ncc(CN[C@@H]3C[C@@H]3C)cc12
InChIInChI=1S/C13H18N4/c1-8-4-12(8)14-6-10-5-11-9(2)16-17(3)13(11)15-7-10/h5,7-8,12,14H,4,6H2,1-3H3/t8-,12+/m0/s1
InChIKeyDHSVIWYUJZLACA-QPUJVOFHSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds3

About cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine

cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 124542772) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID124542772
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Namecis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1nn(C)c2ncc(CN[C@@H]3C[C@@H]3C)cc12
InChIInChI=1S/C13H18N4/c1-8-4-12(8)14-6-10-5-11-9(2)16-17(3)13(11)15-7-10/h5,7-8,12,14H,4,6H2,1-3H3/t8-,12+/m0/s1
InChIKeyDHSVIWYUJZLACA-QPUJVOFHSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine (CID 124542772) is cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine is Cc1nn(C)c2ncc(CN[C@@H]3C[C@@H]3C)cc12.
What is the InChIKey of cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is DHSVIWYUJZLACA-QPUJVOFHSA-N. The full InChI is InChI=1S/C13H18N4/c1-8-4-12(8)14-6-10-5-11-9(2)16-17(3)13(11)15-7-10/h5,7-8,12,14H,4,6H2,1-3H3/t8-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine?
cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 124542772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).