N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide

C26H24ClN7O2 — CID 134178404

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide
SMILESCOc1ccc2c(n1)c(C(=O)NCc1c(C)cc(N)nc1C)nn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C26H24ClN7O2/c1-14-8-22(28)31-15(2)19(14)12-30-26(35)25-24-21(6-7-23(32-24)36-3)34(33-25)13-16-4-5-20-17(9-16)10-18(27)11-29-20/h4-11H,12-13H2,1-3H3,(H2,28,31)(H,30,35)
InChIKeyZSWVBLZEEQRHJX-UHFFFAOYSA-N
MW501.98 g/mol
LogP4.21
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 134178404) has the molecular formula C26H24ClN7O2 and a molecular weight of 501.98 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID134178404
Molecular FormulaC26H24ClN7O2
Molecular Weight501.98 g/mol
Exact Mass501.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide
SMILESCOc1ccc2c(n1)c(C(=O)NCc1c(C)cc(N)nc1C)nn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C26H24ClN7O2/c1-14-8-22(28)31-15(2)19(14)12-30-26(35)25-24-21(6-7-23(32-24)36-3)34(33-25)13-16-4-5-20-17(9-16)10-18(27)11-29-20/h4-11H,12-13H2,1-3H3,(H2,28,31)(H,30,35)
InChIKeyZSWVBLZEEQRHJX-UHFFFAOYSA-N
XLogP4.21
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.98
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide (CID 134178404) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide is COc1ccc2c(n1)c(C(=O)NCc1c(C)cc(N)nc1C)nn2Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is ZSWVBLZEEQRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c1-14-8-22(28)31-15(2)19(14)12-30-26(35)25-24-21(6-7-23(32-24)36-3)34(33-25)13-16-4-5-20-17(9-16)10-18(27)11-29-20/h4-11H,12-13H2,1-3H3,(H2,28,31)(H,30,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 501.98 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 134178404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).