1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

C18H17N7OS — CID 69062394

IUPAC1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nnc(C)s3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H17N7OS/c1-3-20-18(26)22-15-10-25-14(17-24-23-11(2)27-17)7-13(8-16(25)21-15)12-5-4-6-19-9-12/h4-10H,3H2,1-2H3,(H2,20,22,26)
InChIKeyHNPZVDHJBWVLFX-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.36
Rot. Bonds4

About 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 69062394) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID69062394
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nnc(C)s3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C18H17N7OS/c1-3-20-18(26)22-15-10-25-14(17-24-23-11(2)27-17)7-13(8-16(25)21-15)12-5-4-6-19-9-12/h4-10H,3H2,1-2H3,(H2,20,22,26)
InChIKeyHNPZVDHJBWVLFX-UHFFFAOYSA-N
XLogP3.36
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
CID 54754557
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]formamide
CID 25093442
({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)urea
CID 25093445
(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)urea
CID 25093450
US9737542, Example 9
CID 118008699
Ethyl-3-(7-pyridin-3-yl-imidazo[1,2-a]pyridin-2-yl)-urea
CID 11150214
1-[7-[2-(Dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 11384130
6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44448973
1-Ethyl-3-(5-pyridin-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 44571860

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 69062394) is 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3nnc(C)s3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is HNPZVDHJBWVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-3-20-18(26)22-15-10-25-14(17-24-23-11(2)27-17)7-13(8-16(25)21-15)12-5-4-6-19-9-12/h4-10H,3H2,1-2H3,(H2,20,22,26).
What are the key properties of 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 379.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 69062394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).