[4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine

C18H20N4O — CID 42633428

IUPAC[4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine
SMILESNCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCOCC1
InChIInChI=1S/C18H20N4O/c19-12-18(5-8-23-9-6-18)14-3-1-2-13(10-14)15-4-7-20-17-16(15)11-21-22-17/h1-4,7,10-11H,5-6,8-9,12,19H2,(H,20,21,22)
InChIKeyGVHXPJZZHRXUIL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.63
Rot. Bonds3

About [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine

[4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine (PubChem CID 42633428) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine
PubChem CID42633428
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name[4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine
SMILESNCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCOCC1
InChIInChI=1S/C18H20N4O/c19-12-18(5-8-23-9-6-18)14-3-1-2-13(10-14)15-4-7-20-17-16(15)11-21-22-17/h1-4,7,10-11H,5-6,8-9,12,19H2,(H,20,21,22)
InChIKeyGVHXPJZZHRXUIL-UHFFFAOYSA-N
XLogP2.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine with MolForge

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Related Compounds

1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
CID 44129608
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
pyrazolopyridine, (Rac)-14
CID 44221132
4-(4-(3-(1H-Pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpholine
CID 60182393
2-(3-(3-chloro-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-2-methylbutan-1-amine
CID 42633778
2-methyl-2-[3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
CID 57969605
2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]pent-4-yn-1-amine
CID 57969765
2-methyl-2-(3-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)butan-1-amine
CID 57969770
4-Phenyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine
CID 2764173
pyrazolopyridine, (R)-14
CID 44221133
[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine
CID 42633780
[4-[3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]oxan-4-yl]methanamine
CID 42633960

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine (CID 42633428) is [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine is NCC1(c2cccc(-c3ccnc4[nH]ncc34)c2)CCOCC1.
What is the InChIKey of [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine?
The InChIKey is GVHXPJZZHRXUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-12-18(5-8-23-9-6-18)14-3-1-2-13(10-14)15-4-7-20-17-16(15)11-21-22-17/h1-4,7,10-11H,5-6,8-9,12,19H2,(H,20,21,22).
What are the key properties of [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine?
[4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine has a molecular weight of 308.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]oxan-4-yl]methanamine is sourced from PubChem (CID 42633428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).