N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide

C60H64N20O7S3 — CID 126661645

About N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 126661645) has the molecular formula C60H64N20O7S3 and a molecular weight of 1273.51 g/mol. Its IUPAC name is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 126661645
• Molecular Formula: C60H64N20O7S3
• Molecular Weight: 1273.51 g/mol
• Exact Mass: 1272.44
• IUPAC Name: N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide
• SMILES: CNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3coc(NC(=O)C4(NC)CCN(c5ncccc5NC(=O)c5csc(-c6cnn(NC(=O)C7(NC)CCN(c8ccccc8NC(=O)c8csc(-c9cn[nH]c9)n8)CC7)c6)n5)CC4)c3)n2)CC1
• InChI: InChI=1S/C60H64N20O7S3/c1-62-58(55(61)84)14-21-77(22-15-58)45-12-6-4-9-39(45)69-49(81)42-33-88-52(72-42)36-27-47(87-32-36)75-56(85)59(63-2)18-25-79(26-19-59)48-41(11-8-20-65-48)71-51(83)44-35-90-54(74-44)38-30-68-80(31-38)76-57(86)60(64-3)16-23-78(24-17-60)46-13-7-5-10-40(46)70-50(82)43-34-89-53(73-43)37-28-66-67-29-37/h4-13,20,27-35,62-64H,14-19,21-26H2,1-3H3,(H2,61,84)(H,66,67)(H,69,81)(H,70,82)(H,71,83)(H,75,85)(H,76,86)
• InChIKey: JEHDMYUSBNWUBY-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 345.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1273.51
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide (CID 126661645) is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide is CNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3coc(NC(=O)C4(NC)CCN(c5ncccc5NC(=O)c5csc(-c6cnn(NC(=O)C7(NC)CCN(c8ccccc8NC(=O)c8csc(-c9cn[nH]c9)n8)CC7)c6)n5)CC4)c3)n2)CC1.

What is the InChIKey of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is JEHDMYUSBNWUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64N20O7S3/c1-62-58(55(61)84)14-21-77(22-15-58)45-12-6-4-9-39(45)69-49(81)42-33-88-52(72-42)36-27-47(87-32-36)75-56(85)59(63-2)18-25-79(26-19-59)48-41(11-8-20-65-48)71-51(83)44-35-90-54(74-44)38-30-68-80(31-38)76-57(86)60(64-3)16-23-78(24-17-60)46-13-7-5-10-40(46)70-50(82)43-34-89-53(73-43)37-28-66-67-29-37/h4-13,20,27-35,62-64H,14-19,21-26H2,1-3H3,(H2,61,84)(H,66,67)(H,69,81)(H,70,82)(H,71,83)(H,75,85)(H,76,86).

What are the key properties of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide?

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 1273.51 g/mol, XLogP of 6.29, 20 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[5-[[4-(methylamino)-1-[3-[[2-[1-[[4-(methylamino)-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]furan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126661645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).