N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

C17H14ClN5O2S — CID 66548462

IUPACN-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)c(Cl)c1
InChIInChI=1S/C17H14ClN5O2S/c1-26(24,25)12-2-3-14(13(18)5-12)23-17-6-16-10(7-19-17)4-15(22-16)11-8-20-21-9-11/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyRYSICNBHINCPPR-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.75
Rot. Bonds4

About N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66548462) has the molecular formula C17H14ClN5O2S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID66548462
Molecular FormulaC17H14ClN5O2S
Molecular Weight387.85 g/mol
Exact Mass387.06
IUPAC NameN-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)c(Cl)c1
InChIInChI=1S/C17H14ClN5O2S/c1-26(24,25)12-2-3-14(13(18)5-12)23-17-6-16-10(7-19-17)4-15(22-16)11-8-20-21-9-11/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyRYSICNBHINCPPR-UHFFFAOYSA-N
XLogP3.75
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 66548462) is N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is CS(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is RYSICNBHINCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S/c1-26(24,25)12-2-3-14(13(18)5-12)23-17-6-16-10(7-19-17)4-15(22-16)11-8-20-21-9-11/h2-9,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 387.85 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66548462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).