N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane

C27H28ClN7O2 — CID 145441166

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane
SMILESCC.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
InChIInChI=1S/C25H22ClN7O2.C2H6/c1-13-7-21(27)30-14(2)18(13)11-29-25(35)24-23-20(5-6-22(34)31-23)33(32-24)12-15-3-4-19-16(8-15)9-17(26)10-28-19;1-2/h3-10H,11-12H2,1-2H3,(H2,27,30)(H,29,35)(H,31,34);1-2H3
InChIKeyUFZAADSMQGEHMK-UHFFFAOYSA-N
MW518.02 g/mol
LogP4.52
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane (PubChem CID 145441166) has the molecular formula C27H28ClN7O2 and a molecular weight of 518.02 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane
PubChem CID145441166
Molecular FormulaC27H28ClN7O2
Molecular Weight518.02 g/mol
Exact Mass517.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane
SMILESCC.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
InChIInChI=1S/C25H22ClN7O2.C2H6/c1-13-7-21(27)30-14(2)18(13)11-29-25(35)24-23-20(5-6-22(34)31-23)33(32-24)12-15-3-4-19-16(8-15)9-17(26)10-28-19;1-2/h3-10H,11-12H2,1-2H3,(H2,27,30)(H,29,35)(H,31,34);1-2H3
InChIKeyUFZAADSMQGEHMK-UHFFFAOYSA-N
XLogP4.52
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.02
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane with MolForge

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Related Compounds

8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 74222277
8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175094
2-[[5-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731693
8-[4-[2-[4-(4-Chlorophenyl)piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567110
8-[4-[2-[4-(3-chlorophenyl)-4-methylpiperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138393341
1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10298587
3-chloro-N-[4-chloro-2-methyl-6-[[(1-methylethyl)amino]-carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 23154316
N-[5-(4-butanoyl-5-methylpyrazol-1-yl)pyrazin-2-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66575821
(5-Amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(piperazin-1-yl)methanone
CID 118660710
US10981893, Example 22
CID 124173195
N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
CID 129103576
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135126270

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-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane (CID 145441166) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane is CC.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane?
The InChIKey is UFZAADSMQGEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O2.C2H6/c1-13-7-21(27)30-14(2)18(13)11-29-25(35)24-23-20(5-6-22(34)31-23)33(32-24)12-15-3-4-19-16(8-15)9-17(26)10-28-19;1-2/h3-10H,11-12H2,1-2H3,(H2,27,30)(H,29,35)(H,31,34);1-2H3.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane has a molecular weight of 518.02 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 145441166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).