N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C17H16N4O — CID 134190101

IUPACN-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H16N4O/c1-10(2)13-9-22-15-8-11(5-6-12(13)15)19-17-16-14(20-21-17)4-3-7-18-16/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyHZKKMQFDLAZPHI-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.57
Rot. Bonds3

About N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134190101) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134190101
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H16N4O/c1-10(2)13-9-22-15-8-11(5-6-12(13)15)19-17-16-14(20-21-17)4-3-7-18-16/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyHZKKMQFDLAZPHI-UHFFFAOYSA-N
XLogP4.57
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134190101) is N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is CC(C)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is HZKKMQFDLAZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-10(2)13-9-22-15-8-11(5-6-12(13)15)19-17-16-14(20-21-17)4-3-7-18-16/h3-10H,1-2H3,(H2,19,20,21).
What are the key properties of N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 292.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134190101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).