[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone

C24H26F2N4O2 — CID 146480485

IUPAC[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)cc(F)c2)C(CC)N1C(=O)c1cncc(OC)c1
InChIInChI=1S/C24H26F2N4O2/c1-5-18-11-20-22(28-29(3)23(20)14-7-16(25)10-17(26)8-14)21(6-2)30(18)24(31)15-9-19(32-4)13-27-12-15/h7-10,12-13,18,21H,5-6,11H2,1-4H3
InChIKeyXGQCYTNXNVFANO-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.70
Rot. Bonds5

About [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone

[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone (PubChem CID 146480485) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone
PubChem CID146480485
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)cc(F)c2)C(CC)N1C(=O)c1cncc(OC)c1
InChIInChI=1S/C24H26F2N4O2/c1-5-18-11-20-22(28-29(3)23(20)14-7-16(25)10-17(26)8-14)21(6-2)30(18)24(31)15-9-19(32-4)13-27-12-15/h7-10,12-13,18,21H,5-6,11H2,1-4H3
InChIKeyXGQCYTNXNVFANO-UHFFFAOYSA-N
XLogP4.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone (CID 146480485) is [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone is CCC1Cc2c(nn(C)c2-c2cc(F)cc(F)c2)C(CC)N1C(=O)c1cncc(OC)c1.
What is the InChIKey of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is XGQCYTNXNVFANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-5-18-11-20-22(28-29(3)23(20)14-7-16(25)10-17(26)8-14)21(6-2)30(18)24(31)15-9-19(32-4)13-27-12-15/h7-10,12-13,18,21H,5-6,11H2,1-4H3.
What are the key properties of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone?
[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 440.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 146480485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).