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

C21H25F2N5 — CID 59238625

IUPAC5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4CCC(N5CCC(F)(F)C5)CC4)cc23)cn1
InChIInChI=1S/C21H25F2N5/c1-27-12-16(10-26-27)19-11-25-20-18(19)8-15(9-24-20)14-2-4-17(5-3-14)28-7-6-21(22,23)13-28/h8-12,14,17H,2-7,13H2,1H3,(H,24,25)
InChIKeyCMMQFXMQGXBTKX-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.33
Rot. Bonds3

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

5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59238625) has the molecular formula C21H25F2N5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59238625
Molecular FormulaC21H25F2N5
Molecular Weight385.46 g/mol
Exact Mass385.21
IUPAC Name5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4CCC(N5CCC(F)(F)C5)CC4)cc23)cn1
InChIInChI=1S/C21H25F2N5/c1-27-12-16(10-26-27)19-11-25-20-18(19)8-15(9-24-20)14-2-4-17(5-3-14)28-7-6-21(22,23)13-28/h8-12,14,17H,2-7,13H2,1H3,(H,24,25)
InChIKeyCMMQFXMQGXBTKX-UHFFFAOYSA-N
XLogP4.33
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59238625) is 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCC(F)(F)C5)CC4)cc23)cn1.
What is the InChIKey of 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CMMQFXMQGXBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5/c1-27-12-16(10-26-27)19-11-25-20-18(19)8-15(9-24-20)14-2-4-17(5-3-14)28-7-6-21(22,23)13-28/h8-12,14,17H,2-7,13H2,1H3,(H,24,25).
What are the key properties of 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 385.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59238625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).