4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C11H9ClN4 — CID 164572804

IUPAC4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cc3c(Cl)ccnc3[nH]2)cn1
InChIInChI=1S/C11H9ClN4/c1-16-6-7(5-14-16)10-4-8-9(12)2-3-13-11(8)15-10/h2-6H,1H3,(H,13,15)
InChIKeyFNRABFVMKLRPKT-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.62
Rot. Bonds1

About 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 164572804) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID164572804
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cc3c(Cl)ccnc3[nH]2)cn1
InChIInChI=1S/C11H9ClN4/c1-16-6-7(5-14-16)10-4-8-9(12)2-3-13-11(8)15-10/h2-6H,1H3,(H,13,15)
InChIKeyFNRABFVMKLRPKT-UHFFFAOYSA-N
XLogP2.62
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
CID 46885677
4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 172571100
4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 172571043
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol
CID 172570950
cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
CID 142563199
2-(1-methylpyrazol-4-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 162426653
cyclobutylmethyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570026
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrochloride
CID 175983112
6-[4-[[5-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 142429823
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137283151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 164572804) is 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cc3c(Cl)ccnc3[nH]2)cn1.
What is the InChIKey of 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FNRABFVMKLRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-16-6-7(5-14-16)10-4-8-9(12)2-3-13-11(8)15-10/h2-6H,1H3,(H,13,15).
What are the key properties of 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 232.67 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 164572804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).