4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide

C17H18ClN5O3S — CID 134367259

IUPAC4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
SMILESNc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CCC(O)C4)cc3Cl)nc12
InChIInChI=1S/C17H18ClN5O3S/c18-13-8-11(27(25,26)23-9-1-2-10(24)7-9)3-4-12(13)14-5-6-15-16(20-14)17(19)22-21-15/h3-6,8-10,23-24H,1-2,7H2,(H3,19,21,22)
InChIKeyDGZZRJVQQFZNRN-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.05
Rot. Bonds4

About 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide

4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide (PubChem CID 134367259) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
PubChem CID134367259
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
SMILESNc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CCC(O)C4)cc3Cl)nc12
InChIInChI=1S/C17H18ClN5O3S/c18-13-8-11(27(25,26)23-9-1-2-10(24)7-9)3-4-12(13)14-5-6-15-16(20-14)17(19)22-21-15/h3-6,8-10,23-24H,1-2,7H2,(H3,19,21,22)
InChIKeyDGZZRJVQQFZNRN-UHFFFAOYSA-N
XLogP2.05
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide (CID 134367259) is 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide is Nc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CCC(O)C4)cc3Cl)nc12.
What is the InChIKey of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide?
The InChIKey is DGZZRJVQQFZNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c18-13-8-11(27(25,26)23-9-1-2-10(24)7-9)3-4-12(13)14-5-6-15-16(20-14)17(19)22-21-15/h3-6,8-10,23-24H,1-2,7H2,(H3,19,21,22).
What are the key properties of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide?
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide has a molecular weight of 407.88 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 134367259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).