3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol

C22H23ClFN3O3 — CID 118897205

IUPAC3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol
SMILESCOc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12
InChIInChI=1S/C22H23ClFN3O3/c1-30-20-3-2-14(24)8-16(20)21-17-9-19(26-22(17)25-10-18(21)23)13-4-6-27(7-5-13)11-15(29)12-28/h2-4,8-10,15,28-29H,5-7,11-12H2,1H3,(H,25,26)
InChIKeyGZZIMODEZARRGF-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.47
Rot. Bonds6

About 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol

3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol (PubChem CID 118897205) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol
PubChem CID118897205
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol
SMILESCOc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12
InChIInChI=1S/C22H23ClFN3O3/c1-30-20-3-2-14(24)8-16(20)21-17-9-19(26-22(17)25-10-18(21)23)13-4-6-27(7-5-13)11-15(29)12-28/h2-4,8-10,15,28-29H,5-7,11-12H2,1H3,(H,25,26)
InChIKeyGZZIMODEZARRGF-UHFFFAOYSA-N
XLogP3.47
TPSA81.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol (CID 118897205) is 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol is COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12.
What is the InChIKey of 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol?
The InChIKey is GZZIMODEZARRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O3/c1-30-20-3-2-14(24)8-16(20)21-17-9-19(26-22(17)25-10-18(21)23)13-4-6-27(7-5-13)11-15(29)12-28/h2-4,8-10,15,28-29H,5-7,11-12H2,1H3,(H,25,26).
What are the key properties of 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol?
3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol has a molecular weight of 431.90 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol is sourced from PubChem (CID 118897205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).