1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate

C68H57F6N15O8 — CID 159300119

About 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate

1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate (PubChem CID 159300119) has the molecular formula C68H57F6N15O8 and a molecular weight of 1326.29 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate.

Molecular Properties

• Compound Name: 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate
• PubChem CID: 159300119
• Molecular Formula: C68H57F6N15O8
• Molecular Weight: 1326.29 g/mol
• Exact Mass: 1325.44
• IUPAC Name: 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate
• SMILES: CCCNC(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.CCCNC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.COC(=O)NC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F
• InChI: InChI=1S/C23H21F2N5O2.C23H19F2N5O2.C22H17F2N5O4/c2*1-2-7-27-23(32)30-18-6-5-17(24)19(20(18)25)21(31)16-12-29-22-15(16)9-14(11-28-22)13-4-3-8-26-10-13;1-33-22(32)29-21(31)28-16-5-4-15(23)17(18(16)24)19(30)14-10-27-20-13(14)7-12(9-26-20)11-3-2-6-25-8-11/h3-6,8-12,21,31H,2,7H2,1H3,(H,28,29)(H2,27,30,32);3-6,8-12H,2,7H2,1H3,(H,28,29)(H2,27,30,32);2-10,19,30H,1H3,(H,26,27)(H2,28,29,31,32)
• InChIKey: LBFNBOOYECLZGY-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 331.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1326.29
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate?

The IUPAC name of 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate (CID 159300119) is 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate.

What is the SMILES notation for 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate?

The canonical SMILES for 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate is CCCNC(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.CCCNC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.COC(=O)NC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.

What is the InChIKey of 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate?

The InChIKey is LBFNBOOYECLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2.C23H19F2N5O2.C22H17F2N5O4/c2*1-2-7-27-23(32)30-18-6-5-17(24)19(20(18)25)21(31)16-12-29-22-15(16)9-14(11-28-22)13-4-3-8-26-10-13;1-33-22(32)29-21(31)28-16-5-4-15(23)17(18(16)24)19(30)14-10-27-20-13(14)7-12(9-26-20)11-3-2-6-25-8-11/h3-6,8-12,21,31H,2,7H2,1H3,(H,28,29)(H2,27,30,32);3-6,8-12H,2,7H2,1H3,(H,28,29)(H2,27,30,32);2-10,19,30H,1H3,(H,26,27)(H2,28,29,31,32).

What are the key properties of 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate?

1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate has a molecular weight of 1326.29 g/mol, XLogP of 13.05, 16 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-propylurea;1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-propylurea;methyl N-[[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]carbamoyl]carbamate is sourced from PubChem (CID 159300119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).