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

C20H20N4O3 — CID 134190259

IUPACN-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5CCCCO5)coc4c3)n[nH]c2c1
InChIInChI=1S/C20H20N4O3/c1-2-9-25-14(4-1)11-26-18-12-27-17-10-13(6-7-15(17)18)22-20-19-16(23-24-20)5-3-8-21-19/h3,5-8,10,12,14H,1-2,4,9,11H2,(H2,22,23,24)
InChIKeyMOMNKHCQNRHGAZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.40
Rot. Bonds5

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

N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134190259) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134190259
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5CCCCO5)coc4c3)n[nH]c2c1
InChIInChI=1S/C20H20N4O3/c1-2-9-25-14(4-1)11-26-18-12-27-17-10-13(6-7-15(17)18)22-20-19-16(23-24-20)5-3-8-21-19/h3,5-8,10,12,14H,1-2,4,9,11H2,(H2,22,23,24)
InChIKeyMOMNKHCQNRHGAZ-UHFFFAOYSA-N
XLogP4.40
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190177
3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190187
piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
CID 134190016
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
CID 134190254
2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
CID 162655927
1-N-cyclobutyl-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
CID 134191559
1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191539
1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191681
N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 147855692
3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157199599
N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide
CID 135373578
N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 164738398

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134190259) is N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is c1cnc2c(Nc3ccc4c(OCC5CCCCO5)coc4c3)n[nH]c2c1.
What is the InChIKey of N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is MOMNKHCQNRHGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-9-25-14(4-1)11-26-18-12-27-17-10-13(6-7-15(17)18)22-20-19-16(23-24-20)5-3-8-21-19/h3,5-8,10,12,14H,1-2,4,9,11H2,(H2,22,23,24).
What are the key properties of N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134190259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).