3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine

C12H13ClN4 — CID 176550502

IUPAC3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine
SMILESCN1CC=C(n2nc(Cl)c3cnccc32)CC1
InChIInChI=1S/C12H13ClN4/c1-16-6-3-9(4-7-16)17-11-2-5-14-8-10(11)12(13)15-17/h2-3,5,8H,4,6-7H2,1H3
InChIKeyMBXNUXTVDPEYPB-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.26
Rot. Bonds1

About 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine

3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 176550502) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID176550502
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine
SMILESCN1CC=C(n2nc(Cl)c3cnccc32)CC1
InChIInChI=1S/C12H13ClN4/c1-16-6-3-9(4-7-16)17-11-2-5-14-8-10(11)12(13)15-17/h2-3,5,8H,4,6-7H2,1H3
InChIKeyMBXNUXTVDPEYPB-UHFFFAOYSA-N
XLogP2.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine (CID 176550502) is 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine is CN1CC=C(n2nc(Cl)c3cnccc32)CC1.
What is the InChIKey of 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is MBXNUXTVDPEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-16-6-3-9(4-7-16)17-11-2-5-14-8-10(11)12(13)15-17/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine?
3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 248.72 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 176550502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).