N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate

C64H65ClN12O8 — CID 158114618

About N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate

N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 158114618) has the molecular formula C64H65ClN12O8 and a molecular weight of 1165.75 g/mol. Its IUPAC name is N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate
• PubChem CID: 158114618
• Molecular Formula: C64H65ClN12O8
• Molecular Weight: 1165.75 g/mol
• Exact Mass: 1164.47
• IUPAC Name: N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate
• SMILES: CC(C)OC(=O)Cl.CC(C)OC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)c3ccccc32)CC1.O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)c1nn(CC2CCNCC2)c2ccccc12
• InChI: InChI=1S/C32H32N6O4.C28H26N6O2.C4H7ClO2/c1-20(2)42-32(41)37-17-15-21(16-18-37)19-38-27-10-6-5-9-26(27)29(36-38)31(40)33-23-13-11-22(12-14-23)28-24-7-3-4-8-25(24)30(39)35-34-28;35-27-22-6-2-1-5-21(22)25(31-32-27)19-9-11-20(12-10-19)30-28(36)26-23-7-3-4-8-24(23)34(33-26)17-18-13-15-29-16-14-18;1-3(2)7-4(5)6/h3-14,20-21H,15-19H2,1-2H3,(H,33,40)(H,35,39);1-12,18,29H,13-17H2,(H,30,36)(H,32,35);3H,1-2H3
• InChIKey: FQVRGFSEPNQQSA-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 253.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.75
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate?

The IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate (CID 158114618) is N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate.

What is the SMILES notation for N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate?

The canonical SMILES for N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate is CC(C)OC(=O)Cl.CC(C)OC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)c3ccccc32)CC1.O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)c1nn(CC2CCNCC2)c2ccccc12.

What is the InChIKey of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate?

The InChIKey is FQVRGFSEPNQQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O4.C28H26N6O2.C4H7ClO2/c1-20(2)42-32(41)37-17-15-21(16-18-37)19-38-27-10-6-5-9-26(27)29(36-38)31(40)33-23-13-11-22(12-14-23)28-24-7-3-4-8-25(24)30(39)35-34-28;35-27-22-6-2-1-5-21(22)25(31-32-27)19-9-11-20(12-10-19)30-28(36)26-23-7-3-4-8-24(23)34(33-26)17-18-13-15-29-16-14-18;1-3(2)7-4(5)6/h3-14,20-21H,15-19H2,1-2H3,(H,33,40)(H,35,39);1-12,18,29H,13-17H2,(H,30,36)(H,32,35);3H,1-2H3.

What are the key properties of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate?

N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 1165.75 g/mol, XLogP of 11.41, 12 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-(piperidin-4-ylmethyl)indazole-3-carboxamide;propan-2-yl carbonochloridate;propan-2-yl 4-[[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 158114618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).