N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine

C15H22N6O2S — CID 97405078

IUPACN-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCC(C)n1nc(CNc2ncccn2)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H22N6O2S/c1-11(2)21-14-10-20(24(3,22)23)8-5-12(14)13(19-21)9-18-15-16-6-4-7-17-15/h4,6-7,11H,5,8-10H2,1-3H3,(H,16,17,18)
InChIKeyUJGFMGWTRUBGAL-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.18
Rot. Bonds5

About N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine

N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 97405078) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
PubChem CID97405078
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCC(C)n1nc(CNc2ncccn2)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H22N6O2S/c1-11(2)21-14-10-20(24(3,22)23)8-5-12(14)13(19-21)9-18-15-16-6-4-7-17-15/h4,6-7,11H,5,8-10H2,1-3H3,(H,16,17,18)
InChIKeyUJGFMGWTRUBGAL-UHFFFAOYSA-N
XLogP1.18
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (CID 97405078) is N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is CC(C)n1nc(CNc2ncccn2)c2c1CN(S(C)(=O)=O)CC2.
What is the InChIKey of N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is UJGFMGWTRUBGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-11(2)21-14-10-20(24(3,22)23)8-5-12(14)13(19-21)9-18-15-16-6-4-7-17-15/h4,6-7,11H,5,8-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 350.45 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylsulfonyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 97405078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).