2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

C18H13N9S2 — CID 23537403

IUPAC2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESc1csc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(C5=NNNN5)s4)cn23)n1
InChIInChI=1S/C18H13N9S2/c1-4-15-20-8-12(18-19-5-6-28-18)27(15)9-10(1)11-7-21-22-16(11)13-2-3-14(29-13)17-23-25-26-24-17/h1-9,25-26H,(H,21,22)(H,23,24)
InChIKeyKECTUIGRGRQHAI-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.85
Rot. Bonds4

About 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 23537403) has the molecular formula C18H13N9S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID23537403
Molecular FormulaC18H13N9S2
Molecular Weight419.50 g/mol
Exact Mass419.07
IUPAC Name2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESc1csc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(C5=NNNN5)s4)cn23)n1
InChIInChI=1S/C18H13N9S2/c1-4-15-20-8-12(18-19-5-6-28-18)27(15)9-10(1)11-7-21-22-16(11)13-2-3-14(29-13)17-23-25-26-24-17/h1-9,25-26H,(H,21,22)(H,23,24)
InChIKeyKECTUIGRGRQHAI-UHFFFAOYSA-N
XLogP2.85
TPSA107.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole with MolForge

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Related Compounds

N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094283
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
5-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
CID 68355550
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 6411852

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 23537403) is 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is c1csc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(C5=NNNN5)s4)cn23)n1.
What is the InChIKey of 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is KECTUIGRGRQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N9S2/c1-4-15-20-8-12(18-19-5-6-28-18)27(15)9-10(1)11-7-21-22-16(11)13-2-3-14(29-13)17-23-25-26-24-17/h1-9,25-26H,(H,21,22)(H,23,24).
What are the key properties of 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 419.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 23537403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).