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

C23H19N5S — CID 137113990

IUPAC2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESC1=C(c2ccc3[nH]nc(-c4cc5c(-c6cccs6)nccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C23H19N5S/c1-2-21(29-11-1)23-17-13-20(26-18(17)7-10-25-23)22-16-12-15(3-4-19(16)27-28-22)14-5-8-24-9-6-14/h1-5,7,10-13,24,26H,6,8-9H2,(H,27,28)
InChIKeyKUCLMPCPWUCXKO-UHFFFAOYSA-N
MW397.51 g/mol
LogP5.21
Rot. Bonds3

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

2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 137113990) has the molecular formula C23H19N5S and a molecular weight of 397.51 g/mol. Its IUPAC name is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID137113990
Molecular FormulaC23H19N5S
Molecular Weight397.51 g/mol
Exact Mass397.14
IUPAC Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESC1=C(c2ccc3[nH]nc(-c4cc5c(-c6cccs6)nccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C23H19N5S/c1-2-21(29-11-1)23-17-13-20(26-18(17)7-10-25-23)22-16-12-15(3-4-19(16)27-28-22)14-5-8-24-9-6-14/h1-5,7,10-13,24,26H,6,8-9H2,(H,27,28)
InChIKeyKUCLMPCPWUCXKO-UHFFFAOYSA-N
XLogP5.21
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.51
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137040352
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114123
3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 137308443
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-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 145252058
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 137112329
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137145270
3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137103257
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
N-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137103237

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-pyrrolo[3,2-c]pyridine?
The IUPAC name of 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) is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-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-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine is C1=C(c2ccc3[nH]nc(-c4cc5c(-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-pyrrolo[3,2-c]pyridine?
The InChIKey is KUCLMPCPWUCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5S/c1-2-21(29-11-1)23-17-13-20(26-18(17)7-10-25-23)22-16-12-15(3-4-19(16)27-28-22)14-5-8-24-9-6-14/h1-5,7,10-13,24,26H,6,8-9H2,(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-pyrrolo[3,2-c]pyridine?
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 397.51 g/mol, XLogP of 5.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 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-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 137113990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).