4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol

C19H22N4O3S — CID 67343246

IUPAC4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol
SMILESNc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCC(O)CC1
InChIInChI=1S/C19H22N4O3S/c20-17-12-21-19-16(18(17)22-13-6-8-14(24)9-7-13)10-11-23(19)27(25,26)15-4-2-1-3-5-15/h1-5,10-14,24H,6-9,20H2,(H,21,22)
InChIKeyCUZSLXWWYCSXAP-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.57
Rot. Bonds4

About 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol

4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol (PubChem CID 67343246) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol
PubChem CID67343246
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol
SMILESNc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCC(O)CC1
InChIInChI=1S/C19H22N4O3S/c20-17-12-21-19-16(18(17)22-13-6-8-14(24)9-7-13)10-11-23(19)27(25,26)15-4-2-1-3-5-15/h1-5,10-14,24H,6-9,20H2,(H,21,22)
InChIKeyCUZSLXWWYCSXAP-UHFFFAOYSA-N
XLogP2.57
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol (CID 67343246) is 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol is Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCC(O)CC1.
What is the InChIKey of 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is CUZSLXWWYCSXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c20-17-12-21-19-16(18(17)22-13-6-8-14(24)9-7-13)10-11-23(19)27(25,26)15-4-2-1-3-5-15/h1-5,10-14,24H,6-9,20H2,(H,21,22).
What are the key properties of 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol?
4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 386.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 67343246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).