[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol

C18H20N6O2 — CID 154649517

IUPAC[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
SMILESNc1nc(NC2C3CCC(O3)C2CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H20N6O2/c19-18-21-13-7-9(12-5-6-20-24-12)1-2-10(13)17(23-18)22-16-11(8-25)14-3-4-15(16)26-14/h1-2,5-7,11,14-16,25H,3-4,8H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKDNICBPUOFUKSK-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.55
Rot. Bonds4

About [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol

[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol (PubChem CID 154649517) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol.

Molecular Properties

Compound Name[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
PubChem CID154649517
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
SMILESNc1nc(NC2C3CCC(O3)C2CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H20N6O2/c19-18-21-13-7-9(12-5-6-20-24-12)1-2-10(13)17(23-18)22-16-11(8-25)14-3-4-15(16)26-14/h1-2,5-7,11,14-16,25H,3-4,8H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKDNICBPUOFUKSK-UHFFFAOYSA-N
XLogP1.55
TPSA121.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol with MolForge

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Related Compounds

1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044721
5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649275
cis-(1R,3S)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 154649439
trans-(1S,3S)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 155006599
cis-(1S,3R)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 156786008
3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 175157355
5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 176586599
cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol
CID 137417532
cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
CID 137417566
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
CID 137417575
3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
CID 137417576
3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine
CID 137417892

Frequently Asked Questions

What is the IUPAC name of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
The IUPAC name of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol (CID 154649517) is [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol.
What is the SMILES notation for [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
The canonical SMILES for [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol is Nc1nc(NC2C3CCC(O3)C2CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
The InChIKey is KDNICBPUOFUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-18-21-13-7-9(12-5-6-20-24-12)1-2-10(13)17(23-18)22-16-11(8-25)14-3-4-15(16)26-14/h1-2,5-7,11,14-16,25H,3-4,8H2,(H,20,24)(H3,19,21,22,23).
What are the key properties of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol has a molecular weight of 352.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol is sourced from PubChem (CID 154649517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).