5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole

C30H32F2N4 — CID 168994176

IUPAC5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
SMILESCc1cc(C2CC2)c(CN2CCC3(CC2c2ccc(-c4ccn[nH]4)cc2)CC(F)(F)C3)c2cc[nH]c12
InChIInChI=1S/C30H32F2N4/c1-19-14-24(20-2-3-20)25(23-8-11-33-28(19)23)16-36-13-10-29(17-30(31,32)18-29)15-27(36)22-6-4-21(5-7-22)26-9-12-34-35-26/h4-9,11-12,14,20,27,33H,2-3,10,13,15-18H2,1H3,(H,34,35)
InChIKeyYUNLAAYEOVACJX-UHFFFAOYSA-N
MW486.61 g/mol
LogP7.50
Rot. Bonds5

About 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole

5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole (PubChem CID 168994176) has the molecular formula C30H32F2N4 and a molecular weight of 486.61 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole.

Molecular Properties

Compound Name5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
PubChem CID168994176
Molecular FormulaC30H32F2N4
Molecular Weight486.61 g/mol
Exact Mass486.26
IUPAC Name5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
SMILESCc1cc(C2CC2)c(CN2CCC3(CC2c2ccc(-c4ccn[nH]4)cc2)CC(F)(F)C3)c2cc[nH]c12
InChIInChI=1S/C30H32F2N4/c1-19-14-24(20-2-3-20)25(23-8-11-33-28(19)23)16-36-13-10-29(17-30(31,32)18-29)15-27(36)22-6-4-21(5-7-22)26-9-12-34-35-26/h4-9,11-12,14,20,27,33H,2-3,10,13,15-18H2,1H3,(H,34,35)
InChIKeyYUNLAAYEOVACJX-UHFFFAOYSA-N
XLogP7.50
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole?
The IUPAC name of 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole (CID 168994176) is 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole.
What is the SMILES notation for 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole?
The canonical SMILES for 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole is Cc1cc(C2CC2)c(CN2CCC3(CC2c2ccc(-c4ccn[nH]4)cc2)CC(F)(F)C3)c2cc[nH]c12.
What is the InChIKey of 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole?
The InChIKey is YUNLAAYEOVACJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4/c1-19-14-24(20-2-3-20)25(23-8-11-33-28(19)23)16-36-13-10-29(17-30(31,32)18-29)15-27(36)22-6-4-21(5-7-22)26-9-12-34-35-26/h4-9,11-12,14,20,27,33H,2-3,10,13,15-18H2,1H3,(H,34,35).
What are the key properties of 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole?
5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole has a molecular weight of 486.61 g/mol, XLogP of 7.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole is sourced from PubChem (CID 168994176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).