3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine

C21H13N7O — CID 137111021

IUPAC3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESc1ncc(-c2cc3c(-c4cc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H13N7O/c1-3-24-20(12-2-4-29-10-12)14-6-18(26-16(1)14)21-15-5-17(13-7-22-11-23-8-13)25-9-19(15)27-28-21/h1-11,26H,(H,27,28)
InChIKeyYSEZZSPQVOKURF-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.22
Rot. Bonds3

About 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137111021) has the molecular formula C21H13N7O and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID137111021
Molecular FormulaC21H13N7O
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESc1ncc(-c2cc3c(-c4cc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H13N7O/c1-3-24-20(12-2-4-29-10-12)14-6-18(26-16(1)14)21-15-5-17(13-7-22-11-23-8-13)25-9-19(15)27-28-21/h1-11,26H,(H,27,28)
InChIKeyYSEZZSPQVOKURF-UHFFFAOYSA-N
XLogP4.22
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110825
3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110457
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137113192
5-pyridin-3-yl-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137110966
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
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
CID 137088353
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137103267
3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol
CID 137113726
3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137111235
2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137113394

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (CID 137111021) is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is c1ncc(-c2cc3c(-c4cc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)cn1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is YSEZZSPQVOKURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N7O/c1-3-24-20(12-2-4-29-10-12)14-6-18(26-16(1)14)21-15-5-17(13-7-22-11-23-8-13)25-9-19(15)27-28-21/h1-11,26H,(H,27,28).
What are the key properties of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 379.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137111021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).