4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine

C32H32N12O2 — CID 165037689

IUPAC4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESNc1nc(N2C[C@@H]3C[C@H]2CO3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1nc(N2C[C@H]3C[C@@H]2CO3)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/2C16H16N6O/c2*17-16-19-14-5-9(13-3-4-18-21-13)1-2-12(14)15(20-16)22-7-11-6-10(22)8-23-11/h2*1-5,10-11H,6-8H2,(H,18,21)(H2,17,19,20)/t2*10-,11-/m10/s1
InChIKeyNQGMLHONDDFELX-CDDKSXPSSA-N
MW616.69 g/mol
LogP3.16
Rot. Bonds4

About 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine

4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine (PubChem CID 165037689) has the molecular formula C32H32N12O2 and a molecular weight of 616.69 g/mol. Its IUPAC name is 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
PubChem CID165037689
Molecular FormulaC32H32N12O2
Molecular Weight616.69 g/mol
Exact Mass616.28
IUPAC Name4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESNc1nc(N2C[C@@H]3C[C@H]2CO3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1nc(N2C[C@H]3C[C@@H]2CO3)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/2C16H16N6O/c2*17-16-19-14-5-9(13-3-4-18-21-13)1-2-12(14)15(20-16)22-7-11-6-10(22)8-23-11/h2*1-5,10-11H,6-8H2,(H,18,21)(H2,17,19,20)/t2*10-,11-/m10/s1
InChIKeyNQGMLHONDDFELX-CDDKSXPSSA-N
XLogP3.16
TPSA185.90 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.69
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4R)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837090
(1S,4S)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837088
(1S,4S)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837089
6-(1H-indazol-6-yl)-N-[4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 156014311
US10772893, Example 185
CID 122595673
(1S,4S)-5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 66899461
(4R)-5-[[3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 68666295
(4S)-5-[[3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 68666313
5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 91580149
(3R)-1-[7-(5,6-dimethyl-1H-indazol-4-yl)-11-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-13-yl]-3-methylpiperidin-3-ol
CID 177199204
(1S,4R)-5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 44225344
(1R,4S)-5-[[3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 44226030

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
The IUPAC name of 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine (CID 165037689) is 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
The canonical SMILES for 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine is Nc1nc(N2C[C@@H]3C[C@H]2CO3)c2ccc(-c3ccn[nH]3)cc2n1.Nc1nc(N2C[C@H]3C[C@@H]2CO3)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
The InChIKey is NQGMLHONDDFELX-CDDKSXPSSA-N. The full InChI is InChI=1S/2C16H16N6O/c2*17-16-19-14-5-9(13-3-4-18-21-13)1-2-12(14)15(20-16)22-7-11-6-10(22)8-23-11/h2*1-5,10-11H,6-8H2,(H,18,21)(H2,17,19,20)/t2*10-,11-/m10/s1.
What are the key properties of 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine has a molecular weight of 616.69 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine;4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 165037689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).