(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C25H29FN4O2 — CID 124995797

IUPAC(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1c(C)cccc1CN1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C25H29FN4O2/c1-17-5-4-6-19(24(17)32-3)14-30-15-20-13-29(2)28-23(20)22(16-30)25(31)27-12-11-18-7-9-21(26)10-8-18/h4-10,13,22H,11-12,14-16H2,1-3H3,(H,27,31)/t22-/m1/s1
InChIKeyQOPMTLJFYWCOHR-JOCHJYFZSA-N
MW436.53 g/mol
LogP3.33
Rot. Bonds7

About (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 124995797) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID124995797
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1c(C)cccc1CN1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C25H29FN4O2/c1-17-5-4-6-19(24(17)32-3)14-30-15-20-13-29(2)28-23(20)22(16-30)25(31)27-12-11-18-7-9-21(26)10-8-18/h4-10,13,22H,11-12,14-16H2,1-3H3,(H,27,31)/t22-/m1/s1
InChIKeyQOPMTLJFYWCOHR-JOCHJYFZSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 124995797) is (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is COc1c(C)cccc1CN1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1.
What is the InChIKey of (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is QOPMTLJFYWCOHR-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-17-5-4-6-19(24(17)32-3)14-30-15-20-13-29(2)28-23(20)22(16-30)25(31)27-12-11-18-7-9-21(26)10-8-18/h4-10,13,22H,11-12,14-16H2,1-3H3,(H,27,31)/t22-/m1/s1.
What are the key properties of (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 124995797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).