3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine

C18H23N5 — CID 143731803

IUPAC3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CCN(C)C1(C)c1cnc2[nH]cc(-c3cnn(C)c3)c2c1
InChIInChI=1S/C18H23N5/c1-12-5-6-22(3)18(12,2)14-7-15-16(10-20-17(15)19-9-14)13-8-21-23(4)11-13/h7-12H,5-6H2,1-4H3,(H,19,20)
InChIKeyGQPKHCZGWJTXGZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.15
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine

3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143731803) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143731803
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CCN(C)C1(C)c1cnc2[nH]cc(-c3cnn(C)c3)c2c1
InChIInChI=1S/C18H23N5/c1-12-5-6-22(3)18(12,2)14-7-15-16(10-20-17(15)19-9-14)13-8-21-23(4)11-13/h7-12H,5-6H2,1-4H3,(H,19,20)
InChIKeyGQPKHCZGWJTXGZ-UHFFFAOYSA-N
XLogP3.15
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol
CID 163534518
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
3-(1-methylpyrazol-4-yl)-5-[(E)-1-(2,2,3-trimethylcyclopropyl)but-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 70295130
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238625
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731748
(8R)-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-oxabicyclo[3.2.1]oct-3-ene-8-carbonitrile
CID 163843770
7-chloro-2-[(1S)-1-cyclopropylethyl]-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3H-isoindol-1-one
CID 162652570
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 143731803) is 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC1CCN(C)C1(C)c1cnc2[nH]cc(-c3cnn(C)c3)c2c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GQPKHCZGWJTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-12-5-6-22(3)18(12,2)14-7-15-16(10-20-17(15)19-9-14)13-8-21-23(4)11-13/h7-12H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 309.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143731803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).