N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one

C97H82N34O9 — CID 157321892

About N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one

N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 157321892) has the molecular formula C97H82N34O9 and a molecular weight of 1867.95 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one
• PubChem CID: 157321892
• Molecular Formula: C97H82N34O9
• Molecular Weight: 1867.95 g/mol
• Exact Mass: 1866.70
• IUPAC Name: N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one
• SMILES: CN1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)CC1.COC[C@H]1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)C1.O=C(NC1CC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cc(=O)n(-c6ccccc6)nc45)c4ccccc4n3)cc12
• InChI: InChI=1S/C26H17N9O2.C25H24N8O3.C24H23N9O2.C22H18N8O2/c36-21-13-20-22(34-35(21)15-6-2-1-3-7-15)25(32-31-20)29-24-16-8-4-5-9-18(16)27-23(28-24)14-10-11-19-17(12-14)26(37)33-30-19;1-36-13-14-8-9-33(12-14)25(35)20-11-21(31-30-20)27-23-16-4-2-3-5-18(16)26-22(28-23)15-6-7-19-17(10-15)24(34)32-29-19;1-32-8-10-33(11-9-32)24(35)19-13-20(30-29-19)26-22-15-4-2-3-5-17(15)25-21(27-22)14-6-7-18-16(12-14)23(34)31-28-18;31-21-14-9-11(5-8-16(14)27-30-21)19-24-15-4-2-1-3-13(15)20(26-19)25-18-10-17(28-29-18)22(32)23-12-6-7-12/h1-13,31H,(H2,30,33,37)(H,27,28,29,32);2-7,10-11,14H,8-9,12-13H2,1H3,(H2,29,32,34)(H2,26,27,28,30,31);2-7,12-13H,8-11H2,1H3,(H2,28,31,34)(H2,25,26,27,29,30);1-5,8-10,12H,6-7H2,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29)/t;14-;;/m.0../s1
• InChIKey: BEGLMTXUKJMVCT-IGTLABLOSA-N
• XLogP: 11.82
• TPSA: 577.64 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.95
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?

The IUPAC name of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 157321892) is N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one.

What is the SMILES notation for N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?

The canonical SMILES for N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one is CN1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)CC1.COC[C@H]1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)C1.O=C(NC1CC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cc(=O)n(-c6ccccc6)nc45)c4ccccc4n3)cc12.

What is the InChIKey of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?

The InChIKey is BEGLMTXUKJMVCT-IGTLABLOSA-N. The full InChI is InChI=1S/C26H17N9O2.C25H24N8O3.C24H23N9O2.C22H18N8O2/c36-21-13-20-22(34-35(21)15-6-2-1-3-7-15)25(32-31-20)29-24-16-8-4-5-9-18(16)27-23(28-24)14-10-11-19-17(12-14)26(37)33-30-19;1-36-13-14-8-9-33(12-14)25(35)20-11-21(31-30-20)27-23-16-4-2-3-5-18(16)26-22(28-23)15-6-7-19-17(10-15)24(34)32-29-19;1-32-8-10-33(11-9-32)24(35)19-13-20(30-29-19)26-22-15-4-2-3-5-17(15)25-21(27-22)14-6-7-18-16(12-14)23(34)31-28-18;31-21-14-9-11(5-8-16(14)27-30-21)19-24-15-4-2-1-3-13(15)20(26-19)25-18-10-17(28-29-18)22(32)23-12-6-7-12/h1-13,31H,(H2,30,33,37)(H,27,28,29,32);2-7,10-11,14H,8-9,12-13H2,1H3,(H2,29,32,34)(H2,26,27,28,30,31);2-7,12-13H,8-11H2,1H3,(H2,28,31,34)(H2,25,26,27,29,30);1-5,8-10,12H,6-7H2,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29)/t;14-;;/m.0../s1.

What are the key properties of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?

N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 1867.95 g/mol, XLogP of 11.82, 19 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;5-[4-[[5-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 157321892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).