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

C22H14N6O — CID 137113880

IUPAC3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
SMILESc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C22H14N6O/c1-2-19-16(7-13(1)15-9-23-12-24-10-15)22(28-27-19)20-8-17-18(26-20)3-5-25-21(17)14-4-6-29-11-14/h1-12,26H,(H,27,28)
InChIKeyQBPMISKIYNXORC-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.82
Rot. Bonds3

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

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole (PubChem CID 137113880) has the molecular formula C22H14N6O and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
PubChem CID137113880
Molecular FormulaC22H14N6O
Molecular Weight378.40 g/mol
Exact Mass378.12
IUPAC Name3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
SMILESc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C22H14N6O/c1-2-19-16(7-13(1)15-9-23-12-24-10-15)22(28-27-19)20-8-17-18(26-20)3-5-25-21(17)14-4-6-29-11-14/h1-12,26H,(H,27,28)
InChIKeyQBPMISKIYNXORC-UHFFFAOYSA-N
XLogP4.82
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-indazole?
The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole (CID 137113880) is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole is c1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)cn1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The InChIKey is QBPMISKIYNXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6O/c1-2-19-16(7-13(1)15-9-23-12-24-10-15)22(28-27-19)20-8-17-18(26-20)3-5-25-21(17)14-4-6-29-11-14/h1-12,26H,(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-indazole?
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole has a molecular weight of 378.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-indazole is sourced from PubChem (CID 137113880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).