1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea

C19H20ClN5O3S — CID 134217614

IUPAC1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
SMILESCOCC1(c2c(NC(=O)Nc3cnc(OC)c(Cl)c3)cnc3sc(C)nc23)CC1
InChIInChI=1S/C19H20ClN5O3S/c1-10-23-15-14(19(4-5-19)9-27-2)13(8-22-17(15)29-10)25-18(26)24-11-6-12(20)16(28-3)21-7-11/h6-8H,4-5,9H2,1-3H3,(H2,24,25,26)
InChIKeyXLRVPKWYMDDKNL-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.38
Rot. Bonds6

About 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea

1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (PubChem CID 134217614) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
PubChem CID134217614
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
SMILESCOCC1(c2c(NC(=O)Nc3cnc(OC)c(Cl)c3)cnc3sc(C)nc23)CC1
InChIInChI=1S/C19H20ClN5O3S/c1-10-23-15-14(19(4-5-19)9-27-2)13(8-22-17(15)29-10)25-18(26)24-11-6-12(20)16(28-3)21-7-11/h6-8H,4-5,9H2,1-3H3,(H2,24,25,26)
InChIKeyXLRVPKWYMDDKNL-UHFFFAOYSA-N
XLogP4.38
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-[(dimethylamino)methyl]cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217483
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-(4-fluoro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134209663
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(4,4-difluoropiperidin-1-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217590
1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 163499188
1-[5-chloro-6-(1,2-oxazol-4-yl)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134211660
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-[7-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217611
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134209029
1-[2-chloro-7-[1-(2-methoxyethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-6-methoxy-3-pyridinyl)urea
CID 118540266
1-(3-chloro-4-imidazol-1-ylphenyl)-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134208946
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-[7-[methoxy(phenyl)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134209546
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (CID 134217614) is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.
What is the SMILES notation for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The canonical SMILES for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is COCC1(c2c(NC(=O)Nc3cnc(OC)c(Cl)c3)cnc3sc(C)nc23)CC1.
What is the InChIKey of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
The InChIKey is XLRVPKWYMDDKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-10-23-15-14(19(4-5-19)9-27-2)13(8-22-17(15)29-10)25-18(26)24-11-6-12(20)16(28-3)21-7-11/h6-8H,4-5,9H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea has a molecular weight of 433.92 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is sourced from PubChem (CID 134217614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).