N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide

C57H51FN12O3 — CID 134596222

About N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide

N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 134596222) has the molecular formula C57H51FN12O3 and a molecular weight of 971.11 g/mol. Its IUPAC name is N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
• PubChem CID: 134596222
• Molecular Formula: C57H51FN12O3
• Molecular Weight: 971.11 g/mol
• Exact Mass: 970.42
• IUPAC Name: N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
• SMILES: Cc1cc(-c2ccc(-n3ccc(NC(=O)C(CN)c4cccc(-c5cccc(-n6nc(NC(=O)C7(c8ncccc8F)CCC7)cc6C)c5)c4)n3)cc2)ccc1C1(C(=O)Nc2ccn(-c3ccncc3)n2)CC1
• InChI: InChI=1S/C57H51FN12O3/c1-36-31-41(14-17-47(36)56(24-25-56)54(72)63-50-21-30-69(66-50)44-18-27-60-28-19-44)38-12-15-43(16-13-38)68-29-20-49(65-68)62-53(71)46(35-59)42-9-3-7-39(33-42)40-8-4-10-45(34-40)70-37(2)32-51(67-70)64-55(73)57(22-6-23-57)52-48(58)11-5-26-61-52/h3-5,7-21,26-34,46H,6,22-25,35,59H2,1-2H3,(H,62,65,71)(H,63,66,72)(H,64,67,73)
• InChIKey: AWRKGDVUMHKBTN-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 192.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	971.11
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide?

The IUPAC name of N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide (CID 134596222) is N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide.

What is the SMILES notation for N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide?

The canonical SMILES for N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide is Cc1cc(-c2ccc(-n3ccc(NC(=O)C(CN)c4cccc(-c5cccc(-n6nc(NC(=O)C7(c8ncccc8F)CCC7)cc6C)c5)c4)n3)cc2)ccc1C1(C(=O)Nc2ccn(-c3ccncc3)n2)CC1.

What is the InChIKey of N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide?

The InChIKey is AWRKGDVUMHKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51FN12O3/c1-36-31-41(14-17-47(36)56(24-25-56)54(72)63-50-21-30-69(66-50)44-18-27-60-28-19-44)38-12-15-43(16-13-38)68-29-20-49(65-68)62-53(71)46(35-59)42-9-3-7-39(33-42)40-8-4-10-45(34-40)70-37(2)32-51(67-70)64-55(73)57(22-6-23-57)52-48(58)11-5-26-61-52/h3-5,7-21,26-34,46H,6,22-25,35,59H2,1-2H3,(H,62,65,71)(H,63,66,72)(H,64,67,73).

What are the key properties of N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide?

N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 971.11 g/mol, XLogP of 9.54, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[3-[3-amino-1-[[1-[4-[3-methyl-4-[1-[(1-pyridin-4-ylpyrazol-3-yl)carbamoyl]cyclopropyl]phenyl]phenyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]phenyl]-5-methylpyrazol-3-yl]-1-(3-fluoro-2-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134596222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).