N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C29H25FN6O2S2 — CID 155674645

IUPACN-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(s2)CNCC3)cc(F)cc1-c1cccc2c1ccn2C(=O)c1nc2c(s1)CNCC2
InChIInChI=1S/C29H25FN6O2S2/c1-15-19(11-16(30)12-22(15)33-26(37)27-34-20-5-8-31-13-24(20)39-27)17-3-2-4-23-18(17)7-10-36(23)29(38)28-35-21-6-9-32-14-25(21)40-28/h2-4,7,10-12,31-32H,5-6,8-9,13-14H2,1H3,(H,33,37)
InChIKeyFRSFYVXPQOLFBO-UHFFFAOYSA-N
MW572.69 g/mol
LogP4.90
Rot. Bonds4

About N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 155674645) has the molecular formula C29H25FN6O2S2 and a molecular weight of 572.69 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID155674645
Molecular FormulaC29H25FN6O2S2
Molecular Weight572.69 g/mol
Exact Mass572.15
IUPAC NameN-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(s2)CNCC3)cc(F)cc1-c1cccc2c1ccn2C(=O)c1nc2c(s1)CNCC2
InChIInChI=1S/C29H25FN6O2S2/c1-15-19(11-16(30)12-22(15)33-26(37)27-34-20-5-8-31-13-24(20)39-27)17-3-2-4-23-18(17)7-10-36(23)29(38)28-35-21-6-9-32-14-25(21)40-28/h2-4,7,10-12,31-32H,5-6,8-9,13-14H2,1H3,(H,33,37)
InChIKeyFRSFYVXPQOLFBO-UHFFFAOYSA-N
XLogP4.90
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.69
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 155674645) is N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2nc3c(s2)CNCC3)cc(F)cc1-c1cccc2c1ccn2C(=O)c1nc2c(s1)CNCC2.
What is the InChIKey of N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is FRSFYVXPQOLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O2S2/c1-15-19(11-16(30)12-22(15)33-26(37)27-34-20-5-8-31-13-24(20)39-27)17-3-2-4-23-18(17)7-10-36(23)29(38)28-35-21-6-9-32-14-25(21)40-28/h2-4,7,10-12,31-32H,5-6,8-9,13-14H2,1H3,(H,33,37).
What are the key properties of N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 572.69 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-3-[1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)indol-4-yl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155674645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).