1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea — IUPAC name, SMILES, InChIKey & properties

Name: 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea

1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea (PubChem CID 158375980) has the molecular formula C106H99BrN26O8 and a molecular weight of 1945.04 g/mol. Its IUPAC name is 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea.

Molecular Properties

Compound Name	1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
PubChem CID	158375980
Molecular Formula	C106H99BrN26O8
Molecular Weight	1945.04 g/mol
Exact Mass	1942.73
IUPAC Name	1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
SMILES	CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccc(C)nc3)nc3c(C)cccn23)c1C.CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccc(C)nc3)nc3c(C)cccn23)c1C.CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(Br)cccn23)c1C.Cc1cccn2c(NC(=O)Nc3c4c(nn3-c3ccccc3)COC4)c(-c3ccccc3)nc12
InChI	InChI=1S/2C27H27N7O2.C26H23BrN6O2.C26H22N6O2/c21-5-36-26-19(4)24(34(32-26)21-11-7-6-8-12-21)30-27(35)31-25-22(20-14-13-18(3)28-16-20)29-23-17(2)10-9-15-33(23)25;1-3-35-25-17(2)22(33(31-25)19-13-8-5-9-14-19)29-26(34)30-24-21(18-11-6-4-7-12-18)28-23-20(27)15-10-16-32(23)24;1-17-9-8-14-31-23(17)27-22(18-10-4-2-5-11-18)25(31)29-26(33)28-24-20-15-34-16-21(20)30-32(24)19-12-6-3-7-13-19/h26-16H,5H2,1-4H3,(H2,30,31,35);4-16H,3H2,1-2H3,(H2,29,30,34);2-14H,15-16H2,1H3,(H2,28,29,33)
InChIKey	GVESYULYTFLDOI-UHFFFAOYSA-N
XLogP	22.57
TPSA	367.70 Å²
H-Bond Donors	8
H-Bond Acceptors	26
Rotatable Bonds	22
Heavy Atoms	141
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1945.04
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Analyze 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?

The IUPAC name of 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea (CID 158375980) is 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea.

What is the SMILES notation for 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?

The canonical SMILES for 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea is CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccc(C)nc3)nc3c(C)cccn23)c1C.CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccc(C)nc3)nc3c(C)cccn23)c1C.CCOc1nn(-c2ccccc2)c(NC(=O)Nc2c(-c3ccccc3)nc3c(Br)cccn23)c1C.Cc1cccn2c(NC(=O)Nc3c4c(nn3-c3ccccc3)COC4)c(-c3ccccc3)nc12.

What is the InChIKey of 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?

The InChIKey is GVESYULYTFLDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H27N7O2.C26H23BrN6O2.C26H22N6O2/c2*1-5-36-26-19(4)24(34(32-26)21-11-7-6-8-12-21)30-27(35)31-25-22(20-14-13-18(3)28-16-20)29-23-17(2)10-9-15-33(23)25;1-3-35-25-17(2)22(33(31-25)19-13-8-5-9-14-19)29-26(34)30-24-21(18-11-6-4-7-12-18)28-23-20(27)15-10-16-32(23)24;1-17-9-8-14-31-23(17)27-22(18-10-4-2-5-11-18)25(31)29-26(33)28-24-20-15-34-16-21(20)30-32(24)19-12-6-3-7-13-19/h2*6-16H,5H2,1-4H3,(H2,30,31,35);4-16H,3H2,1-2H3,(H2,29,30,34);2-14H,15-16H2,1H3,(H2,28,29,33).

What are the key properties of 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?

Where does this data come from?

All data for 1-(8-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;bis(1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[8-methyl-2-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]urea);1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea is sourced from PubChem (CID 158375980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).