5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C17H24N6OS — CID 99939772

IUPAC5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC[C@H](C)Sc1ncc(CN2CCc3[nH]nc(C(=O)NC)c3C2)cn1
InChIInChI=1S/C17H24N6OS/c1-4-11(2)25-17-19-7-12(8-20-17)9-23-6-5-14-13(10-23)15(22-21-14)16(24)18-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,24)(H,21,22)/t11-/m0/s1
InChIKeyWCYNHVDWVYNFTN-NSHDSACASA-N
MW360.49 g/mol
LogP2.01
Rot. Bonds6

About 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 99939772) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID99939772
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC[C@H](C)Sc1ncc(CN2CCc3[nH]nc(C(=O)NC)c3C2)cn1
InChIInChI=1S/C17H24N6OS/c1-4-11(2)25-17-19-7-12(8-20-17)9-23-6-5-14-13(10-23)15(22-21-14)16(24)18-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,24)(H,21,22)/t11-/m0/s1
InChIKeyWCYNHVDWVYNFTN-NSHDSACASA-N
XLogP2.01
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238727
[4-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 77084675
4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid
CID 118781481
5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 53015036
3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 119073052
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 125441289
5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 118795917
5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 93006024
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461839
5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 118777844

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 99939772) is 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC[C@H](C)Sc1ncc(CN2CCc3[nH]nc(C(=O)NC)c3C2)cn1.
What is the InChIKey of 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WCYNHVDWVYNFTN-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N6OS/c1-4-11(2)25-17-19-7-12(8-20-17)9-23-6-5-14-13(10-23)15(22-21-14)16(24)18-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,24)(H,21,22)/t11-/m0/s1.
What are the key properties of 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 99939772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).