4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine

C20H23N5O2S — CID 144988154

IUPAC4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
SMILESCc1cc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)n[nH]1
InChIInChI=1S/C20H23N5O2S/c1-15-12-19(24-23-15)21-18-13-17(28(26,27)16-8-4-2-5-9-16)14-20(22-18)25-10-6-3-7-11-25/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyICVJJSMYWZFQAO-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.68
Rot. Bonds5

About 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine

4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine (PubChem CID 144988154) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
PubChem CID144988154
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
SMILESCc1cc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)n[nH]1
InChIInChI=1S/C20H23N5O2S/c1-15-12-19(24-23-15)21-18-13-17(28(26,27)16-8-4-2-5-9-16)14-20(22-18)25-10-6-3-7-11-25/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyICVJJSMYWZFQAO-UHFFFAOYSA-N
XLogP3.68
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
CID 144988103
4-[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]butan-1-ol
CID 118642005
(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol
CID 144988292
6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 24991599
6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 25128353
4-(benzenesulfonyl)-N-(5-benzyl-1H-pyrazol-3-yl)-6-chloropyridin-2-amine
CID 118628283
6-(4,4-dimethylpiperazin-4-ium-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 91155794
N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10294507
4-(benzenesulfonyl)-6-chloro-N-[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628252
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
3-(benzenesulfonyl)-2-N-[2-(methylamino)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 118628221
N-[5-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-pyridinyl]-2-chlorobenzamide
CID 59420737

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine (CID 144988154) is 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine is Cc1cc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)n[nH]1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine?
The InChIKey is ICVJJSMYWZFQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-15-12-19(24-23-15)21-18-13-17(28(26,27)16-8-4-2-5-9-16)14-20(22-18)25-10-6-3-7-11-25/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine?
4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine has a molecular weight of 397.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine is sourced from PubChem (CID 144988154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).