4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol

C21H27N5O3S — CID 144988103

IUPAC4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
SMILESCNc1cc(S(=O)(=O)c2ccccc2)cc(Nc2cc(C)[nH]n2)n1.OC1CCCC1
InChIInChI=1S/C16H17N5O2S.C5H10O/c1-11-8-16(21-20-11)19-15-10-13(9-14(17-2)18-15)24(22,23)12-6-4-3-5-7-12;6-5-3-1-2-4-5/h3-10H,1-2H3,(H3,17,18,19,20,21);5-6H,1-4H2
InChIKeyLNGAVGVQLCMKMX-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.65
Rot. Bonds5

About 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol

4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol (PubChem CID 144988103) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
PubChem CID144988103
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
SMILESCNc1cc(S(=O)(=O)c2ccccc2)cc(Nc2cc(C)[nH]n2)n1.OC1CCCC1
InChIInChI=1S/C16H17N5O2S.C5H10O/c1-11-8-16(21-20-11)19-15-10-13(9-14(17-2)18-15)24(22,23)12-6-4-3-5-7-12;6-5-3-1-2-4-5/h3-10H,1-2H3,(H3,17,18,19,20,21);5-6H,1-4H2
InChIKeyLNGAVGVQLCMKMX-UHFFFAOYSA-N
XLogP3.65
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol
CID 144988292
4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
CID 144988154
4-[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]butan-1-ol
CID 118642005
4-(benzenesulfonyl)-6-chloro-N-[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628252
4-[[4-(benzenesulfonyl)-6-[(1-methylimidazol-4-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 118641944
4-(benzenesulfonyl)-N-(5-benzyl-1H-pyrazol-3-yl)-6-chloropyridin-2-amine
CID 118628283
3-(benzenesulfonyl)-2-N-[2-(methylamino)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 118628221
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
CID 170985113
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfonylphenyl]acetamide
CID 152625599
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393
4-[[4-(benzenesulfonyl)-6-[[5-(4-fluorophenyl)pyrazolidin-3-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 118987670

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol?
The IUPAC name of 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol (CID 144988103) is 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol.
What is the SMILES notation for 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol?
The canonical SMILES for 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol is CNc1cc(S(=O)(=O)c2ccccc2)cc(Nc2cc(C)[nH]n2)n1.OC1CCCC1.
What is the InChIKey of 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol?
The InChIKey is LNGAVGVQLCMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S.C5H10O/c1-11-8-16(21-20-11)19-15-10-13(9-14(17-2)18-15)24(22,23)12-6-4-3-5-7-12;6-5-3-1-2-4-5/h3-10H,1-2H3,(H3,17,18,19,20,21);5-6H,1-4H2.
What are the key properties of 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol?
4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol has a molecular weight of 429.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol is sourced from PubChem (CID 144988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).