5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H20ClN5 — CID 56877054

IUPAC5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1nc(CN2CCc3[nH]cnc3C2C2CC2)c2c(Cl)cccc21
InChIInChI=1S/C18H20ClN5/c1-23-15-4-2-3-12(19)16(15)14(22-23)9-24-8-7-13-17(21-10-20-13)18(24)11-5-6-11/h2-4,10-11,18H,5-9H2,1H3,(H,20,21)
InChIKeyOWRJAEWGWVUSDP-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.46
Rot. Bonds3

About 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56877054) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56877054
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1nc(CN2CCc3[nH]cnc3C2C2CC2)c2c(Cl)cccc21
InChIInChI=1S/C18H20ClN5/c1-23-15-4-2-3-12(19)16(15)14(22-23)9-24-8-7-13-17(21-10-20-13)18(24)11-5-6-11/h2-4,10-11,18H,5-9H2,1H3,(H,20,21)
InChIKeyOWRJAEWGWVUSDP-UHFFFAOYSA-N
XLogP3.46
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56877054) is 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1nc(CN2CCc3[nH]cnc3C2C2CC2)c2c(Cl)cccc21.
What is the InChIKey of 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OWRJAEWGWVUSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-23-15-4-2-3-12(19)16(15)14(22-23)9-24-8-7-13-17(21-10-20-13)18(24)11-5-6-11/h2-4,10-11,18H,5-9H2,1H3,(H,20,21).
What are the key properties of 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 341.85 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56877054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).