(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol

C19H21N5O4S — CID 144988292

IUPAC(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol
SMILESCc1cc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N[C@@H]3CO[C@H](O)C3)n2)n[nH]1
InChIInChI=1S/C19H21N5O4S/c1-12-7-18(24-23-12)22-17-10-15(29(26,27)14-5-3-2-4-6-14)9-16(21-17)20-13-8-19(25)28-11-13/h2-7,9-10,13,19,25H,8,11H2,1H3,(H3,20,21,22,23,24)/t13-,19-/m0/s1
InChIKeyLWLNJUVJBVRQTI-DJJJIMSYSA-N
MW415.48 g/mol
LogP2.21
Rot. Bonds6

About (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol

(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol (PubChem CID 144988292) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol
PubChem CID144988292
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol
SMILESCc1cc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N[C@@H]3CO[C@H](O)C3)n2)n[nH]1
InChIInChI=1S/C19H21N5O4S/c1-12-7-18(24-23-12)22-17-10-15(29(26,27)14-5-3-2-4-6-14)9-16(21-17)20-13-8-19(25)28-11-13/h2-7,9-10,13,19,25H,8,11H2,1H3,(H3,20,21,22,23,24)/t13-,19-/m0/s1
InChIKeyLWLNJUVJBVRQTI-DJJJIMSYSA-N
XLogP2.21
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
CID 144988103
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-[[4-(benzenesulfonyl)-6-[(1-methylimidazol-4-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 118641944
4-(benzenesulfonyl)-6-chloro-N-[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628252
4-(benzenesulfonyl)-N-(5-benzyl-1H-pyrazol-3-yl)-6-chloropyridin-2-amine
CID 118628283
4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
CID 118641961
[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)-2-N-[2-(methylamino)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 118628221
4-[[4-(benzenesulfonyl)-6-[[5-(4-fluorophenyl)pyrazolidin-3-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 118987670
2-(2,6-dimethylphenyl)-6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxan-4-yl)pyrimidine-4,6-diamine;molecular hydrogen
CID 159162136

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol?
The IUPAC name of (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol (CID 144988292) is (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol.
What is the SMILES notation for (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol?
The canonical SMILES for (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol is Cc1cc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N[C@@H]3CO[C@H](O)C3)n2)n[nH]1.
What is the InChIKey of (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol?
The InChIKey is LWLNJUVJBVRQTI-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-12-7-18(24-23-12)22-17-10-15(29(26,27)14-5-3-2-4-6-14)9-16(21-17)20-13-8-19(25)28-11-13/h2-7,9-10,13,19,25H,8,11H2,1H3,(H3,20,21,22,23,24)/t13-,19-/m0/s1.
What are the key properties of (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol?
(2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol has a molecular weight of 415.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[4-(benzenesulfonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]oxolan-2-ol is sourced from PubChem (CID 144988292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).