8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine

C25H21N9O — CID 71140014

IUPAC8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1ccc2nc(Nc3ccc4cc[nH]c4n3)c3[nH]ncc3c2c1.Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C18H14N6O.C7H7N3/c1-25-11-3-4-14-12(8-11)13-9-20-24-16(13)18(21-14)23-15-5-2-10-6-7-19-17(10)22-15;8-6-2-1-5-3-4-9-7(5)10-6/h2-9H,1H3,(H,20,24)(H2,19,21,22,23);1-4H,(H3,8,9,10)
InChIKeyARAPGWJRTWFINM-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.88
Rot. Bonds3

About 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine

8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 71140014) has the molecular formula C25H21N9O and a molecular weight of 463.51 g/mol. Its IUPAC name is 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID71140014
Molecular FormulaC25H21N9O
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC Name8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1ccc2nc(Nc3ccc4cc[nH]c4n3)c3[nH]ncc3c2c1.Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C18H14N6O.C7H7N3/c1-25-11-3-4-14-12(8-11)13-9-20-24-16(13)18(21-14)23-15-5-2-10-6-7-19-17(10)22-15;8-6-2-1-5-3-4-9-7(5)10-6/h2-9H,1H3,(H,20,24)(H2,19,21,22,23);1-4H,(H3,8,9,10)
InChIKeyARAPGWJRTWFINM-UHFFFAOYSA-N
XLogP4.88
TPSA146.21 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine (CID 71140014) is 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine is COc1ccc2nc(Nc3ccc4cc[nH]c4n3)c3[nH]ncc3c2c1.Nc1ccc2cc[nH]c2n1.
What is the InChIKey of 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ARAPGWJRTWFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O.C7H7N3/c1-25-11-3-4-14-12(8-11)13-9-20-24-16(13)18(21-14)23-15-5-2-10-6-7-19-17(10)22-15;8-6-2-1-5-3-4-9-7(5)10-6/h2-9H,1H3,(H,20,24)(H2,19,21,22,23);1-4H,(H3,8,9,10).
What are the key properties of 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine?
8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 463.51 g/mol, XLogP of 4.88, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine;1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 71140014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).