1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

C23H18N10S — CID 136945636

IUPAC1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
SMILESNC1CN(c2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccsc7)nccc6[nH]5)c4c3)n2)C1
InChIInChI=1S/C23H18N10S/c24-14-9-33(10-14)18-8-25-7-17(28-18)13-5-15-20(31-32-22(15)27-6-13)23-29-16-1-3-26-19(21(16)30-23)12-2-4-34-11-12/h1-8,11,14H,9-10,24H2,(H,29,30)(H,27,31,32)
InChIKeyCMXUJTYLWZYJQP-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.23
Rot. Bonds4

About 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 136945636) has the molecular formula C23H18N10S and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
PubChem CID136945636
Molecular FormulaC23H18N10S
Molecular Weight466.53 g/mol
Exact Mass466.14
IUPAC Name1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
SMILESNC1CN(c2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccsc7)nccc6[nH]5)c4c3)n2)C1
InChIInChI=1S/C23H18N10S/c24-14-9-33(10-14)18-8-25-7-17(28-18)13-5-15-20(31-32-22(15)27-6-13)23-29-16-1-3-26-19(21(16)30-23)12-2-4-34-11-12/h1-8,11,14H,9-10,24H2,(H,29,30)(H,27,31,32)
InChIKeyCMXUJTYLWZYJQP-UHFFFAOYSA-N
XLogP3.23
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine with MolForge

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Related Compounds

3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136945909
1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136945532
1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136944372
2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 136945704
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145039061
2-phenyl-N-[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136944916
1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137039299
1-[6-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137145354
1-[6-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936799
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137040927
1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936951
4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
The IUPAC name of 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 136945636) is 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.
What is the SMILES notation for 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
The canonical SMILES for 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccsc7)nccc6[nH]5)c4c3)n2)C1.
What is the InChIKey of 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
The InChIKey is CMXUJTYLWZYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N10S/c24-14-9-33(10-14)18-8-25-7-17(28-18)13-5-15-20(31-32-22(15)27-6-13)23-29-16-1-3-26-19(21(16)30-23)12-2-4-34-11-12/h1-8,11,14H,9-10,24H2,(H,29,30)(H,27,31,32).
What are the key properties of 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 466.53 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 136945636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).