5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C26H18FN5O — CID 158185340

IUPAC5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C26H18FN5O/c1-14-4-16(6-18(27)5-14)22-12-29-13-25-20(22)9-24(30-25)26-21-8-15(2-3-23(21)31-32-26)17-7-19(33)11-28-10-17/h2-13,30,33H,1H3,(H,31,32)
InChIKeyFZBPNFDUXXQFND-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.99
Rot. Bonds3

About 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 158185340) has the molecular formula C26H18FN5O and a molecular weight of 435.46 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID158185340
Molecular FormulaC26H18FN5O
Molecular Weight435.46 g/mol
Exact Mass435.15
IUPAC Name5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C26H18FN5O/c1-14-4-16(6-18(27)5-14)22-12-29-13-25-20(22)9-24(30-25)26-21-8-15(2-3-23(21)31-32-26)17-7-19(33)11-28-10-17/h2-13,30,33H,1H3,(H,31,32)
InChIKeyFZBPNFDUXXQFND-UHFFFAOYSA-N
XLogP5.99
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol
CID 136966273
4-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137637094
5-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137651391
(S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11611566
3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
(2R)-2-[[6-(1H-indol-7-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137634742
4,5-difluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137640932
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137641135
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-methylphenol
CID 137646334
2,4-difluoro-6-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137650511
2-fluoro-6-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137652073

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 158185340) is 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Cc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is FZBPNFDUXXQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O/c1-14-4-16(6-18(27)5-14)22-12-29-13-25-20(22)9-24(30-25)26-21-8-15(2-3-23(21)31-32-26)17-7-19(33)11-28-10-17/h2-13,30,33H,1H3,(H,31,32).
What are the key properties of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 435.46 g/mol, XLogP of 5.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 158185340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).