3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine

C21H18FN7S — CID 136947317

IUPAC3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)s1
InChIInChI=1S/C21H18FN7S/c22-18-2-1-17(30-18)13-8-24-9-16-19(13)27-21(26-16)20-12-7-14(11-3-5-23-6-4-11)25-10-15(12)28-29-20/h1-2,7-11,23H,3-6H2,(H,26,27)(H,28,29)
InChIKeyHRHDYULNKAWMSS-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.23
Rot. Bonds3

About 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine

3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136947317) has the molecular formula C21H18FN7S and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID136947317
Molecular FormulaC21H18FN7S
Molecular Weight419.49 g/mol
Exact Mass419.13
IUPAC Name3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)s1
InChIInChI=1S/C21H18FN7S/c22-18-2-1-17(30-18)13-8-24-9-16-19(13)27-21(26-16)20-12-7-14(11-3-5-23-6-4-11)25-10-15(12)28-29-20/h1-2,7-11,23H,3-6H2,(H,26,27)(H,28,29)
InChIKeyHRHDYULNKAWMSS-UHFFFAOYSA-N
XLogP4.23
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine with MolForge

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Related Compounds

5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
CID 145037218
3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136947328
3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(2E,4Z)-5-(piperidin-4-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridine
CID 145037212
1-[6-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136947352
5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136943095
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137280608
3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937556
5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137143000
5-piperidin-4-yl-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116565
3-[(E)-2-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]iminoprop-1-en-2-amine
CID 166866364
3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136943138
4-(5-fluorothiophen-2-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936952

Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine (CID 136947317) is 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)s1.
What is the InChIKey of 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is HRHDYULNKAWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7S/c22-18-2-1-17(30-18)13-8-24-9-16-19(13)27-21(26-16)20-12-7-14(11-3-5-23-6-4-11)25-10-15(12)28-29-20/h1-2,7-11,23H,3-6H2,(H,26,27)(H,28,29).
What are the key properties of 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine?
3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 419.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136947317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).