1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one

C112H109N27O5 — CID 159882719

About 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one

1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 159882719) has the molecular formula C112H109N27O5 and a molecular weight of 1913.29 g/mol. Its IUPAC name is 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one
• PubChem CID: 159882719
• Molecular Formula: C112H109N27O5
• Molecular Weight: 1913.29 g/mol
• Exact Mass: 1911.91
• IUPAC Name: 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC(c2nc(-n3ccnc3)c3cc(-c4cc(O)cc5ccccc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(N3CC(N(C)C)C3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(NC3CCN(C4CC4)CC3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(NCCc3ncccn3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1
• InChI: InChI=1S/C30H33N7O.C28H26N8O.C27H29N7O.C27H21N5O2/c1-3-27(38)37-16-20(17-37)29-33-25-9-5-19(28-18(2)4-8-26-24(28)15-31-35-26)14-23(25)30(34-29)32-21-10-12-36(13-11-21)22-6-7-22;1-3-25(37)36-15-19(16-36)27-33-22-8-6-18(26-17(2)5-7-23-21(26)14-32-35-23)13-20(22)28(34-27)31-12-9-24-29-10-4-11-30-24;1-5-24(35)33-12-18(13-33)26-29-22-9-7-17(25-16(2)6-8-23-21(25)11-28-31-23)10-20(22)27(30-26)34-14-19(15-34)32(3)4;1-2-25(34)32-14-19(15-32)26-29-24-8-7-18(12-23(24)27(30-26)31-10-9-28-16-31)22-13-20(33)11-17-5-3-4-6-21(17)22/h3-5,8-9,14-15,20-22H,1,6-7,10-13,16-17H2,2H3,(H,31,35)(H,32,33,34);3-8,10-11,13-14,19H,1,9,12,15-16H2,2H3,(H,32,35)(H,31,33,34);5-11,18-19H,1,12-15H2,2-4H3,(H,28,31);2-13,16,19,33H,1,14-15H2
• InChIKey: NTSPMWCREVDJEJ-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 368.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.29
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one (CID 159882719) is 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(c2nc(-n3ccnc3)c3cc(-c4cc(O)cc5ccccc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(N3CC(N(C)C)C3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(NC3CCN(C4CC4)CC3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.C=CC(=O)N1CC(c2nc(NCCc3ncccn3)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2)C1.

What is the InChIKey of 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one?

The InChIKey is NTSPMWCREVDJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O.C28H26N8O.C27H29N7O.C27H21N5O2/c1-3-27(38)37-16-20(17-37)29-33-25-9-5-19(28-18(2)4-8-26-24(28)15-31-35-26)14-23(25)30(34-29)32-21-10-12-36(13-11-21)22-6-7-22;1-3-25(37)36-15-19(16-36)27-33-22-8-6-18(26-17(2)5-7-23-21(26)14-32-35-23)13-20(22)28(34-27)31-12-9-24-29-10-4-11-30-24;1-5-24(35)33-12-18(13-33)26-29-22-9-7-17(25-16(2)6-8-23-21(25)11-28-31-23)10-20(22)27(30-26)34-14-19(15-34)32(3)4;1-2-25(34)32-14-19(15-32)26-29-24-8-7-18(12-23(24)27(30-26)31-10-9-28-16-31)22-13-20(33)11-17-5-3-4-6-21(17)22/h3-5,8-9,14-15,20-22H,1,6-7,10-13,16-17H2,2H3,(H,31,35)(H,32,33,34);3-8,10-11,13-14,19H,1,9,12,15-16H2,2H3,(H,32,35)(H,31,33,34);5-11,18-19H,1,12-15H2,2-4H3,(H,28,31);2-13,16,19,33H,1,14-15H2.

What are the key properties of 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one?

1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 1913.29 g/mol, XLogP of 16.47, 22 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[(1-cyclopropylpiperidin-4-yl)amino]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[4-[3-(dimethylamino)azetidin-1-yl]-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-4-imidazol-1-ylquinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(5-methyl-1H-indazol-4-yl)-4-(2-pyrimidin-2-ylethylamino)quinazolin-2-yl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159882719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).