3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

C26H23FN6O — CID 137102954

IUPAC3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCCC/N=C(/c1cc2c(-c3cc(O)cc(F)c3)nccc2[nH]1)c1nc(-c2cn[nH]c2)ccc1C
InChIInChI=1S/C26H23FN6O/c1-3-7-28-26(24-15(2)4-5-21(33-24)17-13-30-31-14-17)23-12-20-22(32-23)6-8-29-25(20)16-9-18(27)11-19(34)10-16/h4-6,8-14,32,34H,3,7H2,1-2H3,(H,30,31)/b28-26-
InChIKeyXVBKGGQJBTWCAM-SGEDCAFJSA-N
MW454.51 g/mol
LogP5.42
Rot. Bonds6

About 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 137102954) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID137102954
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCCC/N=C(/c1cc2c(-c3cc(O)cc(F)c3)nccc2[nH]1)c1nc(-c2cn[nH]c2)ccc1C
InChIInChI=1S/C26H23FN6O/c1-3-7-28-26(24-15(2)4-5-21(33-24)17-13-30-31-14-17)23-12-20-22(32-23)6-8-29-25(20)16-9-18(27)11-19(34)10-16/h4-6,8-14,32,34H,3,7H2,1-2H3,(H,30,31)/b28-26-
InChIKeyXVBKGGQJBTWCAM-SGEDCAFJSA-N
XLogP5.42
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-Hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile
CID 44626349
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
3-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137661196
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenol
CID 86766658
3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenol
CID 86766680
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137103019
US10435405, Example 48
CID 137276839
4-((4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594353
US20260022118, Example 3
CID 172369390
4-fluoro-2-[5-(3-hydroxypropylamino)-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137632162

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 137102954) is 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is CCC/N=C(/c1cc2c(-c3cc(O)cc(F)c3)nccc2[nH]1)c1nc(-c2cn[nH]c2)ccc1C.
What is the InChIKey of 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is XVBKGGQJBTWCAM-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-3-7-28-26(24-15(2)4-5-21(33-24)17-13-30-31-14-17)23-12-20-22(32-23)6-8-29-25(20)16-9-18(27)11-19(34)10-16/h4-6,8-14,32,34H,3,7H2,1-2H3,(H,30,31)/b28-26-.
What are the key properties of 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 454.51 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[C-[3-methyl-6-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propylcarbonimidoyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137102954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).