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

C28H18FN7OS — CID 136937525

IUPAC3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)s1
InChIInChI=1S/C28H18FN7OS/c29-24-7-6-23(38-24)19-8-9-31-27-25(19)33-28(34-27)26-20-11-21(32-14-22(20)35-36-26)17-10-18(13-30-12-17)37-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,35,36)(H,31,33,34)
InChIKeyBSYSFTPJBGJZAK-UHFFFAOYSA-N
MW519.57 g/mol
LogP6.40
Rot. Bonds6

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

3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136937525) has the molecular formula C28H18FN7OS and a molecular weight of 519.57 g/mol. Its IUPAC name is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136937525
Molecular FormulaC28H18FN7OS
Molecular Weight519.57 g/mol
Exact Mass519.13
IUPAC Name3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)s1
InChIInChI=1S/C28H18FN7OS/c29-24-7-6-23(38-24)19-8-9-31-27-25(19)33-28(34-27)26-20-11-21(32-14-22(20)35-36-26)17-10-18(13-30-12-17)37-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,35,36)(H,31,33,34)
InChIKeyBSYSFTPJBGJZAK-UHFFFAOYSA-N
XLogP6.40
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136937525) is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)s1.
What is the InChIKey of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BSYSFTPJBGJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN7OS/c29-24-7-6-23(38-24)19-8-9-31-27-25(19)33-28(34-27)26-20-11-21(32-14-22(20)35-36-26)17-10-18(13-30-12-17)37-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,35,36)(H,31,33,34).
What are the key properties of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 519.57 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136937525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).