N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide

C25H24N6O2S — CID 88558463

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1
InChIInChI=1S/C25H24N6O2S/c1-31-9-8-21-22(15-31)34-25(29-21)30-24(33)18-6-2-4-16(10-18)12-26-23(32)19-7-3-5-17(11-19)20-13-27-28-14-20/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,26,32)(H,27,28)(H,29,30,33)
InChIKeyPBOUYPSRCDBXNA-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.70
Rot. Bonds6

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide (PubChem CID 88558463) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide
PubChem CID88558463
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1
InChIInChI=1S/C25H24N6O2S/c1-31-9-8-21-22(15-31)34-25(29-21)30-24(33)18-6-2-4-16(10-18)12-26-23(32)19-7-3-5-17(11-19)20-13-27-28-14-20/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,26,32)(H,27,28)(H,29,30,33)
InChIKeyPBOUYPSRCDBXNA-UHFFFAOYSA-N
XLogP3.70
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide 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

4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
CID 71658864
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]benzamide
CID 153531518
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 156760492
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 56599755
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 84973048
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973049
N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 84973063
N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973076
N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide
CID 84973078
N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973083
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide
CID 88553159
N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide
CID 88553160

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide (CID 88558463) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide is CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide?
The InChIKey is PBOUYPSRCDBXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-31-9-8-21-22(15-31)34-25(29-21)30-24(33)18-6-2-4-16(10-18)12-26-23(32)19-7-3-5-17(11-19)20-13-27-28-14-20/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,26,32)(H,27,28)(H,29,30,33).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide has a molecular weight of 472.57 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 88558463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).