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

C15H22N6O2S — CID 97410113

IUPACN-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1
InChIInChI=1S/C15H22N6O2S/c1-3-9-24(22,23)21-8-5-12-13(19-20(2)14(12)11-21)10-18-15-16-6-4-7-17-15/h4,6-7H,3,5,8-11H2,1-2H3,(H,16,17,18)
InChIKeyBSVSMLLESZOFTP-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.92
Rot. Bonds6

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

N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 97410113) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
PubChem CID97410113
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1
InChIInChI=1S/C15H22N6O2S/c1-3-9-24(22,23)21-8-5-12-13(19-20(2)14(12)11-21)10-18-15-16-6-4-7-17-15/h4,6-7H,3,5,8-11H2,1-2H3,(H,16,17,18)
InChIKeyBSVSMLLESZOFTP-UHFFFAOYSA-N
XLogP0.92
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 97405024
(3-methylphenyl)-[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
CID 97405025
5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 113089132
N-[(5-propylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrimidin-2-amine
CID 133141858
N-[(5-butylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-fluoro-N-phenylbenzamide
CID 53019302
(3S)-8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488342
N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine
CID 97463946
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97405040
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
5-benzylsulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832612
6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191202

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (CID 97410113) is N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is CCCS(=O)(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1.
What is the InChIKey of N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is BSVSMLLESZOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-3-9-24(22,23)21-8-5-12-13(19-20(2)14(12)11-21)10-18-15-16-6-4-7-17-15/h4,6-7H,3,5,8-11H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
N-[(1-methyl-6-propylsulfonyl-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 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 97410113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).