6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

C107H98BrN29O5 — CID 158973898

IUPAC6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESC#Cc1ccc2nc(Nc3cc(O[C@@H]4CCN(C(=O)CN(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3C[C@@H]4C[C@@H]3CO4)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5ccnc5)c4)nc3cc2OCc2cccnc2)cn1.c1cncc(COc2cc3nc(Nc4cccc(Cn5ccnc5)c4)ncc3cc2-c2cn[nH]c2)c1
InChIInChI=1S/C28H24N8O.C28H29N7O2.C27H22N8O.C24H23BrN6O/c1-35-17-23(15-32-35)25-11-22-14-31-28(33-24-6-2-4-20(10-24)16-36-9-8-30-19-36)34-26(22)12-27(25)37-18-21-5-3-7-29-13-21;1-5-19-6-7-26-21(10-19)14-29-28(32-26)31-23-11-20(22-15-30-34(4)16-22)12-25(13-23)37-24-8-9-35(17-24)27(36)18-33(2)3;1-3-19(16-35-8-7-29-18-35)9-23(5-1)33-27-30-13-21-10-24(22-14-31-32-15-22)26(11-25(21)34-27)36-17-20-4-2-6-28-12-20;1-30-12-18(10-27-30)16-4-15(11-31-13-22-8-21(31)14-32-22)5-20(7-16)28-24-26-9-17-6-19(25)2-3-23(17)29-24/h2-15,17,19H,16,18H2,1H3,(H,31,33,34);1,6-7,10-16,24H,8-9,17-18H2,2-4H3,(H,29,31,32);1-15,18H,16-17H2,(H,31,32)(H,30,33,34);2-7,9-10,12,21-22H,8,11,13-14H2,1H3,(H,26,28,29)/t;24-;;21-,22+/m.1.1/s1
InChIKeyJODJNXJYFNGXRH-XWLWMGSNSA-N
MW1950.06 g/mol
LogP17.78
Rot. Bonds28

About 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 158973898) has the molecular formula C107H98BrN29O5 and a molecular weight of 1950.06 g/mol. Its IUPAC name is 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
PubChem CID158973898
Molecular FormulaC107H98BrN29O5
Molecular Weight1950.06 g/mol
Exact Mass1947.75
IUPAC Name6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESC#Cc1ccc2nc(Nc3cc(O[C@@H]4CCN(C(=O)CN(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3C[C@@H]4C[C@@H]3CO4)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5ccnc5)c4)nc3cc2OCc2cccnc2)cn1.c1cncc(COc2cc3nc(Nc4cccc(Cn5ccnc5)c4)ncc3cc2-c2cn[nH]c2)c1
InChIInChI=1S/C28H24N8O.C28H29N7O2.C27H22N8O.C24H23BrN6O/c1-35-17-23(15-32-35)25-11-22-14-31-28(33-24-6-2-4-20(10-24)16-36-9-8-30-19-36)34-26(22)12-27(25)37-18-21-5-3-7-29-13-21;1-5-19-6-7-26-21(10-19)14-29-28(32-26)31-23-11-20(22-15-30-34(4)16-22)12-25(13-23)37-24-8-9-35(17-24)27(36)18-33(2)3;1-3-19(16-35-8-7-29-18-35)9-23(5-1)33-27-30-13-21-10-24(22-14-31-32-15-22)26(11-25(21)34-27)36-17-20-4-2-6-28-12-20;1-30-12-18(10-27-30)16-4-15(11-31-13-22-8-21(31)14-32-22)5-20(7-16)28-24-26-9-17-6-19(25)2-3-23(17)29-24/h2-15,17,19H,16,18H2,1H3,(H,31,33,34);1,6-7,10-16,24H,8-9,17-18H2,2-4H3,(H,29,31,32);1-15,18H,16-17H2,(H,31,32)(H,30,33,34);2-7,9-10,12,21-22H,8,11,13-14H2,1H3,(H,26,28,29)/t;24-;;21-,22+/m.1.1/s1
InChIKeyJODJNXJYFNGXRH-XWLWMGSNSA-N
XLogP17.78
TPSA358.51 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.06
LogP ≤ 517.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (CID 158973898) is 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is C#Cc1ccc2nc(Nc3cc(O[C@@H]4CCN(C(=O)CN(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3C[C@@H]4C[C@@H]3CO4)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5ccnc5)c4)nc3cc2OCc2cccnc2)cn1.c1cncc(COc2cc3nc(Nc4cccc(Cn5ccnc5)c4)ncc3cc2-c2cn[nH]c2)c1.
What is the InChIKey of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is JODJNXJYFNGXRH-XWLWMGSNSA-N. The full InChI is InChI=1S/C28H24N8O.C28H29N7O2.C27H22N8O.C24H23BrN6O/c1-35-17-23(15-32-35)25-11-22-14-31-28(33-24-6-2-4-20(10-24)16-36-9-8-30-19-36)34-26(22)12-27(25)37-18-21-5-3-7-29-13-21;1-5-19-6-7-26-21(10-19)14-29-28(32-26)31-23-11-20(22-15-30-34(4)16-22)12-25(13-23)37-24-8-9-35(17-24)27(36)18-33(2)3;1-3-19(16-35-8-7-29-18-35)9-23(5-1)33-27-30-13-21-10-24(22-14-31-32-15-22)26(11-25(21)34-27)36-17-20-4-2-6-28-12-20;1-30-12-18(10-27-30)16-4-15(11-31-13-22-8-21(31)14-32-22)5-20(7-16)28-24-26-9-17-6-19(25)2-3-23(17)29-24/h2-15,17,19H,16,18H2,1H3,(H,31,33,34);1,6-7,10-16,24H,8-9,17-18H2,2-4H3,(H,29,31,32);1-15,18H,16-17H2,(H,31,32)(H,30,33,34);2-7,9-10,12,21-22H,8,11,13-14H2,1H3,(H,26,28,29)/t;24-;;21-,22+/m.1.1/s1.
What are the key properties of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 1950.06 g/mol, XLogP of 17.78, 28 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]phenyl]quinazolin-2-amine;2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-6-(1H-pyrazol-4-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 158973898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).