[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone

C18H18F2N4O — CID 3461480

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone
SMILESCc1ccc2c(c1)c1c(n2C(=O)c2ccnn2C(F)F)CCN(C)C1
InChIInChI=1S/C18H18F2N4O/c1-11-3-4-14-12(9-11)13-10-22(2)8-6-15(13)23(14)17(25)16-5-7-21-24(16)18(19)20/h3-5,7,9,18H,6,8,10H2,1-2H3
InChIKeyWQPNJQULJVWHHU-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.22
Rot. Bonds2

About [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone

[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone (PubChem CID 3461480) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone
PubChem CID3461480
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone
SMILESCc1ccc2c(c1)c1c(n2C(=O)c2ccnn2C(F)F)CCN(C)C1
InChIInChI=1S/C18H18F2N4O/c1-11-3-4-14-12(9-11)13-10-22(2)8-6-15(13)23(14)17(25)16-5-7-21-24(16)18(19)20/h3-5,7,9,18H,6,8,10H2,1-2H3
InChIKeyWQPNJQULJVWHHU-UHFFFAOYSA-N
XLogP3.22
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone (CID 3461480) is [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone is Cc1ccc2c(c1)c1c(n2C(=O)c2ccnn2C(F)F)CCN(C)C1.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone?
The InChIKey is WQPNJQULJVWHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-11-3-4-14-12(9-11)13-10-22(2)8-6-15(13)23(14)17(25)16-5-7-21-24(16)18(19)20/h3-5,7,9,18H,6,8,10H2,1-2H3.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone?
[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone has a molecular weight of 344.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone is sourced from PubChem (CID 3461480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).