3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C24H28F2N6O — CID 145105924

IUPAC3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CC3)cn1
InChIInChI=1S/C24H28F2N6O/c1-30-14-16(12-28-30)18-10-15-3-7-31(22(15)11-19(18)23(25)26)24-20-13-27-6-2-21(20)32(29-24)17-4-8-33-9-5-17/h10-12,14,17,23,27H,2-9,13H2,1H3
InChIKeyDZPNLMOENQNVIO-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.91
Rot. Bonds4

About 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 145105924) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID145105924
Molecular FormulaC24H28F2N6O
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CC3)cn1
InChIInChI=1S/C24H28F2N6O/c1-30-14-16(12-28-30)18-10-15-3-7-31(22(15)11-19(18)23(25)26)24-20-13-27-6-2-21(20)32(29-24)17-4-8-33-9-5-17/h10-12,14,17,23,27H,2-9,13H2,1H3
InChIKeyDZPNLMOENQNVIO-UHFFFAOYSA-N
XLogP3.91
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]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 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 145105924) is 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cn1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CC3)cn1.
What is the InChIKey of 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is DZPNLMOENQNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c1-30-14-16(12-28-30)18-10-15-3-7-31(22(15)11-19(18)23(25)26)24-20-13-27-6-2-21(20)32(29-24)17-4-8-33-9-5-17/h10-12,14,17,23,27H,2-9,13H2,1H3.
What are the key properties of 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 454.53 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 145105924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).