3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole

C25H18N4 — CID 145248048

IUPAC3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole
SMILESC1=CC(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)=CC1
InChIInChI=1S/C25H18N4/c1-2-6-16(5-1)19-8-3-9-22-20(19)14-24(27-22)25-21-13-17(10-11-23(21)28-29-25)18-7-4-12-26-15-18/h1,3-15,27H,2H2,(H,28,29)
InChIKeyBTYVKROQBGCVJB-UHFFFAOYSA-N
MW374.45 g/mol
LogP6.12
Rot. Bonds3

About 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole

3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole (PubChem CID 145248048) has the molecular formula C25H18N4 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole.

Molecular Properties

Compound Name3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole
PubChem CID145248048
Molecular FormulaC25H18N4
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole
SMILESC1=CC(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)=CC1
InChIInChI=1S/C25H18N4/c1-2-6-16(5-1)19-8-3-9-22-20(19)14-24(27-22)25-21-13-17(10-11-23(21)28-29-25)18-7-4-12-26-15-18/h1,3-15,27H,2H2,(H,28,29)
InChIKeyBTYVKROQBGCVJB-UHFFFAOYSA-N
XLogP6.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137088894
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazole
CID 137115638
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137088069
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252791
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137116967
3-(4-pyridin-3-yl-1H-indol-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114642
4-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137111919
5-(5-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 145254746
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087139
3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 145252387

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole?
The IUPAC name of 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole (CID 145248048) is 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole.
What is the SMILES notation for 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole?
The canonical SMILES for 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole is C1=CC(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)=CC1.
What is the InChIKey of 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole?
The InChIKey is BTYVKROQBGCVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4/c1-2-6-16(5-1)19-8-3-9-22-20(19)14-24(27-22)25-21-13-17(10-11-23(21)28-29-25)18-7-4-12-26-15-18/h1,3-15,27H,2H2,(H,28,29).
What are the key properties of 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole?
3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole has a molecular weight of 374.45 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-indazole is sourced from PubChem (CID 145248048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).