N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C22H20ClN5 — CID 45238028

IUPACN-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESClc1ccc2nc(CNC3CCCc4c3cnn4-c3ccccn3)ccc2c1
InChIInChI=1S/C22H20ClN5/c23-16-8-10-19-15(12-16)7-9-17(27-19)13-25-20-4-3-5-21-18(20)14-26-28(21)22-6-1-2-11-24-22/h1-2,6-12,14,20,25H,3-5,13H2
InChIKeyOZMVCIVYERHAKY-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.64
Rot. Bonds4

About N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 45238028) has the molecular formula C22H20ClN5 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID45238028
Molecular FormulaC22H20ClN5
Molecular Weight389.89 g/mol
Exact Mass389.14
IUPAC NameN-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESClc1ccc2nc(CNC3CCCc4c3cnn4-c3ccccn3)ccc2c1
InChIInChI=1S/C22H20ClN5/c23-16-8-10-19-15(12-16)7-9-17(27-19)13-25-20-4-3-5-21-18(20)14-26-28(21)22-6-1-2-11-24-22/h1-2,6-12,14,20,25H,3-5,13H2
InChIKeyOZMVCIVYERHAKY-UHFFFAOYSA-N
XLogP4.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 45238028) is N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is Clc1ccc2nc(CNC3CCCc4c3cnn4-c3ccccn3)ccc2c1.
What is the InChIKey of N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is OZMVCIVYERHAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5/c23-16-8-10-19-15(12-16)7-9-17(27-19)13-25-20-4-3-5-21-18(20)14-26-28(21)22-6-1-2-11-24-22/h1-2,6-12,14,20,25H,3-5,13H2.
What are the key properties of N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 389.89 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 45238028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).