2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine

C21H22N6O — CID 149486732

IUPAC2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ccc(-c2cc3c(-c4cnn(C5CCCCC5)c4)cnc(N)c3o2)cn1
InChIInChI=1S/C21H22N6O/c22-19-7-6-13(9-24-19)18-8-16-17(11-25-21(23)20(16)28-18)14-10-26-27(12-14)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,22,24)(H2,23,25)
InChIKeyZEHQAOGJZFTGLB-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.42
Rot. Bonds3

About 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine

2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine (PubChem CID 149486732) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
PubChem CID149486732
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ccc(-c2cc3c(-c4cnn(C5CCCCC5)c4)cnc(N)c3o2)cn1
InChIInChI=1S/C21H22N6O/c22-19-7-6-13(9-24-19)18-8-16-17(11-25-21(23)20(16)28-18)14-10-26-27(12-14)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,22,24)(H2,23,25)
InChIKeyZEHQAOGJZFTGLB-UHFFFAOYSA-N
XLogP4.42
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The IUPAC name of 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine (CID 149486732) is 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine is Nc1ccc(-c2cc3c(-c4cnn(C5CCCCC5)c4)cnc(N)c3o2)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The InChIKey is ZEHQAOGJZFTGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-19-7-6-13(9-24-19)18-8-16-17(11-25-21(23)20(16)28-18)14-10-26-27(12-14)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,22,24)(H2,23,25).
What are the key properties of 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine has a molecular weight of 374.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 149486732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).