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

C20H13N7O — CID 137111387

IUPAC3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2ccoc2)c2cc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2n1
InChIInChI=1S/C20H13N7O/c1-3-21-20-14(13(1)11-2-4-28-10-11)5-17(25-20)19-15-6-16(12-7-23-24-8-12)22-9-18(15)26-27-19/h1-10H,(H,21,25)(H,23,24)(H,26,27)
InChIKeyXWWOKXHGZRAHFS-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.15
Rot. Bonds3

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137111387) has the molecular formula C20H13N7O and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137111387
Molecular FormulaC20H13N7O
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2ccoc2)c2cc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2n1
InChIInChI=1S/C20H13N7O/c1-3-21-20-14(13(1)11-2-4-28-10-11)5-17(25-20)19-15-6-16(12-7-23-24-8-12)22-9-18(15)26-27-19/h1-10H,(H,21,25)(H,23,24)(H,26,27)
InChIKeyXWWOKXHGZRAHFS-UHFFFAOYSA-N
XLogP4.15
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137111387) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2ccoc2)c2cc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2n1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XWWOKXHGZRAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7O/c1-3-21-20-14(13(1)11-2-4-28-10-11)5-17(25-20)19-15-6-16(12-7-23-24-8-12)22-9-18(15)26-27-19/h1-10H,(H,21,25)(H,23,24)(H,26,27).
What are the key properties of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 367.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137111387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).