3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid

C24H29N5O3S — CID 10073289

IUPAC3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid
SMILESCn1nc(CC(CC(=O)O)c2cnc(C3CC3)s2)cc1OCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C24H29N5O3S/c1-29-21(32-10-8-18-7-6-15-3-2-9-25-23(15)27-18)13-19(28-29)11-17(12-22(30)31)20-14-26-24(33-20)16-4-5-16/h6-7,13-14,16-17H,2-5,8-12H2,1H3,(H,25,27)(H,30,31)
InChIKeySOZJNYJVSMUYEL-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.93
Rot. Bonds10

About 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid

3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid (PubChem CID 10073289) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid
PubChem CID10073289
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid
SMILESCn1nc(CC(CC(=O)O)c2cnc(C3CC3)s2)cc1OCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C24H29N5O3S/c1-29-21(32-10-8-18-7-6-15-3-2-9-25-23(15)27-18)13-19(28-29)11-17(12-22(30)31)20-14-26-24(33-20)16-4-5-16/h6-7,13-14,16-17H,2-5,8-12H2,1H3,(H,25,27)(H,30,31)
InChIKeySOZJNYJVSMUYEL-UHFFFAOYSA-N
XLogP3.93
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)-1H-pyrazol-3-yl)butanoic acid
CID 10052945
3-(6-methoxypyridin-3-yl)-4-(1-methyl-5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)-1H-pyrazol-3-yl)butanoic acid
CID 10072507
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-(pyrrolidin-1-yl)pyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 10391088
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-thiomorpholinopyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 10414569
3-(6-Methoxypyridin-3-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10479033
3-(6-Methoxypyridin-3-yl)-4-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanoic acid
CID 10098148
3-(6-Methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanoic acid
CID 67559505
4-[4-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 9866983
3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid
CID 10096078
3-pyridin-3-yl-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1H-pyrazol-5-yl]butanoic acid
CID 10136084
2-[2-[4-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
CID 10137859
4-[1-(2-Hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 10254619

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid?
The IUPAC name of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid (CID 10073289) is 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid.
What is the SMILES notation for 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid?
The canonical SMILES for 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid is Cn1nc(CC(CC(=O)O)c2cnc(C3CC3)s2)cc1OCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid?
The InChIKey is SOZJNYJVSMUYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-29-21(32-10-8-18-7-6-15-3-2-9-25-23(15)27-18)13-19(28-29)11-17(12-22(30)31)20-14-26-24(33-20)16-4-5-16/h6-7,13-14,16-17H,2-5,8-12H2,1H3,(H,25,27)(H,30,31).
What are the key properties of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid?
3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid has a molecular weight of 467.60 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid is sourced from PubChem (CID 10073289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).