3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol

C28H23FN8O — CID 137032935

IUPAC3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
SMILESOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)[nH]c23)c1
InChIInChI=1S/C28H23FN8O/c29-19-10-17(11-20(38)12-19)21-5-6-31-27-24(21)33-28(34-27)26-25-23(35-36-26)4-3-22(32-25)18-9-16(13-30-14-18)15-37-7-1-2-8-37/h3-6,9-14,38H,1-2,7-8,15H2,(H,35,36)(H,31,33,34)
InChIKeyGDJHLSYTVKBQMW-UHFFFAOYSA-N
MW506.55 g/mol
LogP5.07
Rot. Bonds5

About 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol

3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (PubChem CID 137032935) has the molecular formula C28H23FN8O and a molecular weight of 506.55 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
PubChem CID137032935
Molecular FormulaC28H23FN8O
Molecular Weight506.55 g/mol
Exact Mass506.20
IUPAC Name3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
SMILESOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)[nH]c23)c1
InChIInChI=1S/C28H23FN8O/c29-19-10-17(11-20(38)12-19)21-5-6-31-27-24(21)33-28(34-27)26-25-23(35-36-26)4-3-22(32-25)18-9-16(13-30-14-18)15-37-7-1-2-8-37/h3-6,9-14,38H,1-2,7-8,15H2,(H,35,36)(H,31,33,34)
InChIKeyGDJHLSYTVKBQMW-UHFFFAOYSA-N
XLogP5.07
TPSA119.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (CID 137032935) is 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is Oc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)[nH]c23)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
The InChIKey is GDJHLSYTVKBQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN8O/c29-19-10-17(11-20(38)12-19)21-5-6-31-27-24(21)33-28(34-27)26-25-23(35-36-26)4-3-22(32-25)18-9-16(13-30-14-18)15-37-7-1-2-8-37/h3-6,9-14,38H,1-2,7-8,15H2,(H,35,36)(H,31,33,34).
What are the key properties of 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol has a molecular weight of 506.55 g/mol, XLogP of 5.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is sourced from PubChem (CID 137032935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).