4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine

C26H25Cl2N7O2 — CID 159644901

IUPAC4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(Cl)c(N)c(C)n1.CCOc1ncccc1-c1cc(Cl)c2[nH]ncc2n1
InChIInChI=1S/C13H11ClN4O.C13H14ClN3O/c1-2-19-13-8(4-3-5-15-13)10-6-9(14)12-11(17-10)7-16-18-12;1-3-18-13-9(5-4-6-16-13)11-7-10(14)12(15)8(2)17-11/h3-7H,2H2,1H3,(H,16,18);4-7H,3,15H2,1-2H3
InChIKeyMQVGLEDSLLAZNO-UHFFFAOYSA-N
MW538.44 g/mol
LogP6.16
Rot. Bonds6

About 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine

4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine (PubChem CID 159644901) has the molecular formula C26H25Cl2N7O2 and a molecular weight of 538.44 g/mol. Its IUPAC name is 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine
PubChem CID159644901
Molecular FormulaC26H25Cl2N7O2
Molecular Weight538.44 g/mol
Exact Mass537.14
IUPAC Name4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(Cl)c(N)c(C)n1.CCOc1ncccc1-c1cc(Cl)c2[nH]ncc2n1
InChIInChI=1S/C13H11ClN4O.C13H14ClN3O/c1-2-19-13-8(4-3-5-15-13)10-6-9(14)12-11(17-10)7-16-18-12;1-3-18-13-9(5-4-6-16-13)11-7-10(14)12(15)8(2)17-11/h3-7H,2H2,1H3,(H,16,18);4-7H,3,15H2,1-2H3
InChIKeyMQVGLEDSLLAZNO-UHFFFAOYSA-N
XLogP6.16
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.44
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16732276
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647438
US10034861, Example 77
CID 132273376
US10034861, Example 85
CID 132273384
(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 44536123
N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine
CID 56677286
3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942364
3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942365
4-(oxan-4-yloxy)-3-(2-pyridin-3-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
CID 66828985
4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
CID 66828987
4-(oxan-4-yloxy)-3-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine
CID 66829130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine?
The IUPAC name of 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine (CID 159644901) is 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine?
The canonical SMILES for 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine is CCOc1ncccc1-c1cc(Cl)c(N)c(C)n1.CCOc1ncccc1-c1cc(Cl)c2[nH]ncc2n1.
What is the InChIKey of 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine?
The InChIKey is MQVGLEDSLLAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O.C13H14ClN3O/c1-2-19-13-8(4-3-5-15-13)10-6-9(14)12-11(17-10)7-16-18-12;1-3-18-13-9(5-4-6-16-13)11-7-10(14)12(15)8(2)17-11/h3-7H,2H2,1H3,(H,16,18);4-7H,3,15H2,1-2H3.
What are the key properties of 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine?
4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine has a molecular weight of 538.44 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 159644901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).