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

C19H11FN8S — CID 136945702

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)nc23)s1
InChIInChI=1S/C19H11FN8S/c20-14-2-1-13(29-14)17-16-12(3-4-21-17)25-19(26-16)15-11-5-9(10-7-23-24-8-10)6-22-18(11)28-27-15/h1-8H,(H,23,24)(H,25,26)(H,22,27,28)
InChIKeyIYMDBXMKRXISOQ-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.15
Rot. Bonds3

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

3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945702) has the molecular formula C19H11FN8S and a molecular weight of 402.42 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945702
Molecular FormulaC19H11FN8S
Molecular Weight402.42 g/mol
Exact Mass402.08
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)nc23)s1
InChIInChI=1S/C19H11FN8S/c20-14-2-1-13(29-14)17-16-12(3-4-21-17)25-19(26-16)15-11-5-9(10-7-23-24-8-10)6-22-18(11)28-27-15/h1-8H,(H,23,24)(H,25,26)(H,22,27,28)
InChIKeyIYMDBXMKRXISOQ-UHFFFAOYSA-N
XLogP4.15
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 136945702) is 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)nc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is IYMDBXMKRXISOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN8S/c20-14-2-1-13(29-14)17-16-12(3-4-21-17)25-19(26-16)15-11-5-9(10-7-23-24-8-10)6-22-18(11)28-27-15/h1-8H,(H,23,24)(H,25,26)(H,22,27,28).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 402.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).