3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole

C21H14N6O — CID 137117017

IUPAC3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)co1
InChIInChI=1S/C21H14N6O/c1-2-18-16(5-12(1)14-7-23-24-8-14)21(27-26-18)19-6-15-17(13-3-4-28-11-13)9-22-10-20(15)25-19/h1-11,25H,(H,23,24)(H,26,27)
InChIKeyAYNVNLCPMWPVLW-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.76
Rot. Bonds3

About 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (PubChem CID 137117017) has the molecular formula C21H14N6O and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
PubChem CID137117017
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC Name3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)co1
InChIInChI=1S/C21H14N6O/c1-2-18-16(5-12(1)14-7-23-24-8-14)21(27-26-18)19-6-15-17(13-3-4-28-11-13)9-22-10-20(15)25-19/h1-11,25H,(H,23,24)(H,26,27)
InChIKeyAYNVNLCPMWPVLW-UHFFFAOYSA-N
XLogP4.76
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116367
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 154514473
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137116364
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137116432
5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137115415
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116586
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137115850
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazole
CID 137115638
1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137088514
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
CID 137115273

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (CID 137117017) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)co1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The InChIKey is AYNVNLCPMWPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c1-2-18-16(5-12(1)14-7-23-24-8-14)21(27-26-18)19-6-15-17(13-3-4-28-11-13)9-22-10-20(15)25-19/h1-11,25H,(H,23,24)(H,26,27).
What are the key properties of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole has a molecular weight of 366.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137117017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).