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

C26H24ClN7O2 — CID 134178921

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide
SMILESCOc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
InChIInChI=1S/C26H24ClN7O2/c1-14-6-23(28)32-15(2)20(14)11-31-26(35)25-19-9-24(36-3)30-12-22(19)34(33-25)13-16-4-5-21-17(7-16)8-18(27)10-29-21/h4-10,12H,11,13H2,1-3H3,(H2,28,32)(H,31,35)
InChIKeyPSAXJTGHLNJLPE-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[3,4-c]pyridine-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide (PubChem CID 134178921) 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[3,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide
PubChem CID134178921
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[3,4-c]pyridine-3-carboxamide
SMILESCOc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
InChIInChI=1S/C26H24ClN7O2/c1-14-6-23(28)32-15(2)20(14)11-31-26(35)25-19-9-24(36-3)30-12-22(19)34(33-25)13-16-4-5-21-17(7-16)8-18(27)10-29-21/h4-10,12H,11,13H2,1-3H3,(H2,28,32)(H,31,35)
InChIKeyPSAXJTGHLNJLPE-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

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

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Related Compounds

US11673893, Example 58
CID 156136476
US10301284, Example 121
CID 134177829
US10301284, Example 130
CID 134178150
US10301284, Example 129
CID 134178160
US10301284, Example 137
CID 134178404
US10301284, Example 119
CID 134178824
US10301284, Example 128
CID 134178707
4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 163382867
(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone
CID 164536913
(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164536929
4-amino-7-fluoro-N-[(5S)-2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 164867310
1-(2-Chloro-6-methoxy-3-pyridinyl)-8-[5-(ethylamino)-6-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 49834531

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[3,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide (CID 134178921) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]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[3,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide is COc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide?
The InChIKey is PSAXJTGHLNJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c1-14-6-23(28)32-15(2)20(14)11-31-26(35)25-19-9-24(36-3)30-12-22(19)34(33-25)13-16-4-5-21-17(7-16)8-18(27)10-29-21/h4-10,12H,11,13H2,1-3H3,(H2,28,32)(H,31,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]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[3,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 134178921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).