N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C20H17N7OS — CID 46997726

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCc2[nH]cnc2C1c1ccccn1
InChIInChI=1S/C20H17N7OS/c28-20(25-19-24-18(26-29-19)13-6-2-1-3-7-13)27-11-9-14-16(23-12-22-14)17(27)15-8-4-5-10-21-15/h1-8,10,12,17H,9,11H2,(H,22,23)(H,24,25,26,28)
InChIKeyXMYKFTADFNDMOB-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.50
Rot. Bonds3

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 46997726) has the molecular formula C20H17N7OS and a molecular weight of 403.47 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID46997726
Molecular FormulaC20H17N7OS
Molecular Weight403.47 g/mol
Exact Mass403.12
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCc2[nH]cnc2C1c1ccccn1
InChIInChI=1S/C20H17N7OS/c28-20(25-19-24-18(26-29-19)13-6-2-1-3-7-13)27-11-9-14-16(23-12-22-14)17(27)15-8-4-5-10-21-15/h1-8,10,12,17H,9,11H2,(H,22,23)(H,24,25,26,28)
InChIKeyXMYKFTADFNDMOB-UHFFFAOYSA-N
XLogP3.50
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377567
methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51974501
methyl 5-fluoro-2-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51974157
2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51971957
N-cyclopentyl-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 138007076
(1-oxidopyridin-1-ium-3-yl)-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 154885800
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 97151262
[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 46982916
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
3-[[(4R)-4-[2-(trifluoromethoxy)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51971678
N-(2,6-difluorophenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145388
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 46997726) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2[nH]cnc2C1c1ccccn1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is XMYKFTADFNDMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7OS/c28-20(25-19-24-18(26-29-19)13-6-2-1-3-7-13)27-11-9-14-16(23-12-22-14)17(27)15-8-4-5-10-21-15/h1-8,10,12,17H,9,11H2,(H,22,23)(H,24,25,26,28).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 46997726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).