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

C22H16N6S — CID 137116884

IUPAC2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)cn1
InChIInChI=1S/C22H16N6S/c1-28-12-14(9-24-28)13-4-5-18-16(7-13)22(27-26-18)19-8-15-17(21-3-2-6-29-21)10-23-11-20(15)25-19/h2-12,25H,1H3,(H,26,27)
InChIKeyCUANEOAYWNZIGF-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.24
Rot. Bonds3

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

2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137116884) has the molecular formula C22H16N6S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID137116884
Molecular FormulaC22H16N6S
Molecular Weight396.48 g/mol
Exact Mass396.12
IUPAC Name2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)cn1
InChIInChI=1S/C22H16N6S/c1-28-12-14(9-24-28)13-4-5-18-16(7-13)22(27-26-18)19-8-15-17(21-3-2-6-29-21)10-23-11-20(15)25-19/h2-12,25H,1H3,(H,26,27)
InChIKeyCUANEOAYWNZIGF-UHFFFAOYSA-N
XLogP5.24
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine
CID 137117159
2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137038228
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137117043
3-methyl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137117025
5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116608
5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137311281
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137313037
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116471
5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137116452
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310678
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115746

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (CID 137116884) is 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)cn1.
What is the InChIKey of 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is CUANEOAYWNZIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6S/c1-28-12-14(9-24-28)13-4-5-18-16(7-13)22(27-26-18)19-8-15-17(21-3-2-6-29-21)10-23-11-20(15)25-19/h2-12,25H,1H3,(H,26,27).
What are the key properties of 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 396.48 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137116884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).