1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea

C26H22FN7O2 — CID 58345055

IUPAC1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4cc(F)cnc43)cc2)cc1
InChIInChI=1S/C26H22FN7O2/c1-36-20-10-6-18(7-11-20)32-26(35)31-14-16-4-8-19(9-5-16)34-24(21-3-2-12-29-23(21)28)33-22-13-17(27)15-30-25(22)34/h2-13,15H,14H2,1H3,(H2,28,29)(H2,31,32,35)
InChIKeyUEYWPQBRZUEKLT-UHFFFAOYSA-N
MW483.51 g/mol
LogP4.53
Rot. Bonds6

About 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea

1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea (PubChem CID 58345055) has the molecular formula C26H22FN7O2 and a molecular weight of 483.51 g/mol. Its IUPAC name is 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea
PubChem CID58345055
Molecular FormulaC26H22FN7O2
Molecular Weight483.51 g/mol
Exact Mass483.18
IUPAC Name1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4cc(F)cnc43)cc2)cc1
InChIInChI=1S/C26H22FN7O2/c1-36-20-10-6-18(7-11-20)32-26(35)31-14-16-4-8-19(9-5-16)34-24(21-3-2-12-29-23(21)28)33-22-13-17(27)15-30-25(22)34/h2-13,15H,14H2,1H3,(H2,28,29)(H2,31,32,35)
InChIKeyUEYWPQBRZUEKLT-UHFFFAOYSA-N
XLogP4.53
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea (CID 58345055) is 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4cc(F)cnc43)cc2)cc1.
What is the InChIKey of 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is UEYWPQBRZUEKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2/c1-36-20-10-6-18(7-11-20)32-26(35)31-14-16-4-8-19(9-5-16)34-24(21-3-2-12-29-23(21)28)33-22-13-17(27)15-30-25(22)34/h2-13,15H,14H2,1H3,(H2,28,29)(H2,31,32,35).
What are the key properties of 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea?
1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 483.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 58345055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).