2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine

C20H20ClFN4 — CID 91036535

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
SMILESCC1=C2CN(Cc3ccc(F)cc3Cl)N=C2CCN1Cc1ccccn1
InChIInChI=1S/C20H20ClFN4/c1-14-18-13-26(11-15-5-6-16(22)10-19(15)21)24-20(18)7-9-25(14)12-17-4-2-3-8-23-17/h2-6,8,10H,7,9,11-13H2,1H3
InChIKeyNRQIOXNEISVCGG-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.23
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine

2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine (PubChem CID 91036535) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
PubChem CID91036535
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
SMILESCC1=C2CN(Cc3ccc(F)cc3Cl)N=C2CCN1Cc1ccccn1
InChIInChI=1S/C20H20ClFN4/c1-14-18-13-26(11-15-5-6-16(22)10-19(15)21)24-20(18)7-9-25(14)12-17-4-2-3-8-23-17/h2-6,8,10H,7,9,11-13H2,1H3
InChIKeyNRQIOXNEISVCGG-UHFFFAOYSA-N
XLogP4.23
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine (CID 91036535) is 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine is CC1=C2CN(Cc3ccc(F)cc3Cl)N=C2CCN1Cc1ccccn1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The InChIKey is NRQIOXNEISVCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c1-14-18-13-26(11-15-5-6-16(22)10-19(15)21)24-20(18)7-9-25(14)12-17-4-2-3-8-23-17/h2-6,8,10H,7,9,11-13H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine has a molecular weight of 370.86 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 91036535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).