5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine

C23H25ClN6O — CID 138658726

IUPAC5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine
SMILESCOc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1CNCc1c(C)cc(N)nc1C
InChIInChI=1S/C23H25ClN6O/c1-14-6-22(25)28-15(2)20(14)11-26-9-18-13-30(29-23(18)31-3)12-16-4-5-21-17(7-16)8-19(24)10-27-21/h4-8,10,13,26H,9,11-12H2,1-3H3,(H2,25,28)
InChIKeyWKCUQZCIACQGOJ-UHFFFAOYSA-N
MW436.95 g/mol
LogP4.03
Rot. Bonds7

About 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine

5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine (PubChem CID 138658726) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine
PubChem CID138658726
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine
SMILESCOc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1CNCc1c(C)cc(N)nc1C
InChIInChI=1S/C23H25ClN6O/c1-14-6-22(25)28-15(2)20(14)11-26-9-18-13-30(29-23(18)31-3)12-16-4-5-21-17(7-16)8-19(24)10-27-21/h4-8,10,13,26H,9,11-12H2,1-3H3,(H2,25,28)
InChIKeyWKCUQZCIACQGOJ-UHFFFAOYSA-N
XLogP4.03
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine with MolForge

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Related Compounds

4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
3-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
CID 166896441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 159466945
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;ethane
CID 145441055
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 134178441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide
CID 134178616
1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxylic acid
CID 134178738
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 157302655
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyano-1,2,4-triazole-3-carboxamide
CID 140929552
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxamide
CID 140929567
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 134178435

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine?
The IUPAC name of 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine (CID 138658726) is 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine is COc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1CNCc1c(C)cc(N)nc1C.
What is the InChIKey of 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine?
The InChIKey is WKCUQZCIACQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-14-6-22(25)28-15(2)20(14)11-26-9-18-13-30(29-23(18)31-3)12-16-4-5-21-17(7-16)8-19(24)10-27-21/h4-8,10,13,26H,9,11-12H2,1-3H3,(H2,25,28).
What are the key properties of 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine?
5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine has a molecular weight of 436.95 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazol-4-yl]methylamino]methyl]-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 138658726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).