4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine

C18H15ClFN5OS — CID 58259393

IUPAC4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1ncc(F)cc1CNc1nc(Cl)c(Cc2c[nH]c3ncccc23)s1
InChIInChI=1S/C18H15ClFN5OS/c1-26-17-11(5-12(20)9-23-17)8-24-18-25-15(19)14(27-18)6-10-7-22-16-13(10)3-2-4-21-16/h2-5,7,9H,6,8H2,1H3,(H,21,22)(H,24,25)
InChIKeyHRDMONNVTNEVEA-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.42
Rot. Bonds6

About 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine

4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 58259393) has the molecular formula C18H15ClFN5OS and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID58259393
Molecular FormulaC18H15ClFN5OS
Molecular Weight403.87 g/mol
Exact Mass403.07
IUPAC Name4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1ncc(F)cc1CNc1nc(Cl)c(Cc2c[nH]c3ncccc23)s1
InChIInChI=1S/C18H15ClFN5OS/c1-26-17-11(5-12(20)9-23-17)8-24-18-25-15(19)14(27-18)6-10-7-22-16-13(10)3-2-4-21-16/h2-5,7,9H,6,8H2,1H3,(H,21,22)(H,24,25)
InChIKeyHRDMONNVTNEVEA-UHFFFAOYSA-N
XLogP4.42
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine 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

6-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 87307479
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 58259007
4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87220182
4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 141359886
3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 59593338
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415463
N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-6-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67201044
3-[[2-chloro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 58259117
[4-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanamine
CID 66970704
N-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 25024887
3,5-dichloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 107572383
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine (CID 58259393) is 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine is COc1ncc(F)cc1CNc1nc(Cl)c(Cc2c[nH]c3ncccc23)s1.
What is the InChIKey of 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HRDMONNVTNEVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5OS/c1-26-17-11(5-12(20)9-23-17)8-24-18-25-15(19)14(27-18)6-10-7-22-16-13(10)3-2-4-21-16/h2-5,7,9H,6,8H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 403.87 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58259393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).