1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C20H19N5OS — CID 169163614

IUPAC1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C20H19N5OS/c26-18(6-5-17-21-8-10-27-17)25-9-7-15-19(23-12-22-15)20(25)16-11-13-3-1-2-4-14(13)24-16/h1-4,8,10-12,20,24H,5-7,9H2,(H,22,23)/t20-/m1/s1
InChIKeyNLFWCFCKUMLZEJ-HXUWFJFHSA-N
MW377.47 g/mol
LogP3.45
Rot. Bonds4

About 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 169163614) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID169163614
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C20H19N5OS/c26-18(6-5-17-21-8-10-27-17)25-9-7-15-19(23-12-22-15)20(25)16-11-13-3-1-2-4-14(13)24-16/h1-4,8,10-12,20,24H,5-7,9H2,(H,22,23)/t20-/m1/s1
InChIKeyNLFWCFCKUMLZEJ-HXUWFJFHSA-N
XLogP3.45
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one 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 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 169163614) is 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is NLFWCFCKUMLZEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-18(6-5-17-21-8-10-27-17)25-9-7-15-19(23-12-22-15)20(25)16-11-13-3-1-2-4-14(13)24-16/h1-4,8,10-12,20,24H,5-7,9H2,(H,22,23)/t20-/m1/s1.
What are the key properties of 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 377.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 169163614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).