3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C18H16ClN5O2S — CID 167667104

IUPAC3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc3c(-c4cc(Cl)nc(CS(C)(=O)=O)c4)cnn3c2)cn1
InChIInChI=1S/C18H16ClN5O2S/c1-23-9-14(7-20-23)12-3-4-17-16(8-21-24(17)10-12)13-5-15(11-27(2,25)26)22-18(19)6-13/h3-10H,11H2,1-2H3
InChIKeyOTXKTANMTZJKSR-UHFFFAOYSA-N
MW401.88 g/mol
LogP2.99
Rot. Bonds4

About 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 167667104) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID167667104
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC Name3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc3c(-c4cc(Cl)nc(CS(C)(=O)=O)c4)cnn3c2)cn1
InChIInChI=1S/C18H16ClN5O2S/c1-23-9-14(7-20-23)12-3-4-17-16(8-21-24(17)10-12)13-5-15(11-27(2,25)26)22-18(19)6-13/h3-10H,11H2,1-2H3
InChIKeyOTXKTANMTZJKSR-UHFFFAOYSA-N
XLogP2.99
TPSA82.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 59578413
1-(5-Chloro-3-methyl-pyrazol-1-ylmethanesulfonyl)-3-(1,2,5,6-tetrahydro-pyridin-3-yl)-1H-indole
CID 44403096
3-(6-Chloropyridazin-3-yl)-2-isopropylpyrazolo[1,5-a]pyridine
CID 24751991
US10189845, Example 7
CID 121390960
US10189845, Example 22
CID 121391007
US10189845, Example 11
CID 121391106
US10023570, Example 332
CID 124200474
US10189845, Example 21
CID 132230470
US11530210, Example 141
CID 155388703
3-(6-Chloro-4-methylpyridazin-3-yl)-2-isopropylpyrazolo[1,5-a]pyridine
CID 54583497
5-Chloro-2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-methylsulfonylpyridine
CID 92421498
5-Chloro-2-[1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-methylsulfonylpyridine
CID 92421500

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 167667104) is 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is Cn1cc(-c2ccc3c(-c4cc(Cl)nc(CS(C)(=O)=O)c4)cnn3c2)cn1.
What is the InChIKey of 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is OTXKTANMTZJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c1-23-9-14(7-20-23)12-3-4-17-16(8-21-24(17)10-12)13-5-15(11-27(2,25)26)22-18(19)6-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 401.88 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(methylsulfonylmethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167667104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).