2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

C22H18N6S — CID 136936930

IUPAC2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
SMILESC1=C(c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C22H18N6S/c1-2-18(29-11-1)21-20-17(7-10-24-21)25-22(26-20)19-15-12-14(3-4-16(15)27-28-19)13-5-8-23-9-6-13/h1-5,7,10-12,23H,6,8-9H2,(H,25,26)(H,27,28)
InChIKeyUTVTXERZMRFHHW-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.61
Rot. Bonds3

About 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136936930) has the molecular formula C22H18N6S and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136936930
Molecular FormulaC22H18N6S
Molecular Weight398.50 g/mol
Exact Mass398.13
IUPAC Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
SMILESC1=C(c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C22H18N6S/c1-2-18(29-11-1)21-20-17(7-10-24-21)25-22(26-20)19-15-12-14(3-4-16(15)27-28-19)13-5-8-23-9-6-13/h1-5,7,10-12,23H,6,8-9H2,(H,25,26)(H,27,28)
InChIKeyUTVTXERZMRFHHW-UHFFFAOYSA-N
XLogP4.61
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-4-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936809
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137113990
2-(5-pyridin-2-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936944
2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 137019610
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936936
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944220
2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136943680
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 136937569
5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145299
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137308932
2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137019594
5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137312330

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (CID 136936930) is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is C1=C(c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)CCNC1.
What is the InChIKey of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is UTVTXERZMRFHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6S/c1-2-18(29-11-1)21-20-17(7-10-24-21)25-22(26-20)19-15-12-14(3-4-16(15)27-28-19)13-5-8-23-9-6-13/h1-5,7,10-12,23H,6,8-9H2,(H,25,26)(H,27,28).
What are the key properties of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 398.50 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).