N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide

C26H26N6O4S — CID 154667789

About N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide

N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide (PubChem CID 154667789) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide
• PubChem CID: 154667789
• Molecular Formula: C26H26N6O4S
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.17
• IUPAC Name: N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide
• SMILES: C/C=C\c1ccc(-c2csc(NC(=O)C(COC)NC(=O)c3ccn(C4(C#N)CC4)n3)n2)cc1C(C)=O
• InChI: InChI=1S/C26H26N6O4S/c1-4-5-17-6-7-18(12-19(17)16(2)33)22-14-37-25(29-22)30-24(35)21(13-36-3)28-23(34)20-8-11-32(31-20)26(15-27)9-10-26/h4-8,11-12,14,21H,9-10,13H2,1-3H3,(H,28,34)(H,29,30,35)/b5-4-
• InChIKey: PYKZHKSKYJHRJM-PLNGDYQASA-N
• XLogP: 3.64
• TPSA: 139.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.60
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide?

The IUPAC name of N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide (CID 154667789) is N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide?

The canonical SMILES for N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide is C/C=C\c1ccc(-c2csc(NC(=O)C(COC)NC(=O)c3ccn(C4(C#N)CC4)n3)n2)cc1C(C)=O.

What is the InChIKey of N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide?

The InChIKey is PYKZHKSKYJHRJM-PLNGDYQASA-N. The full InChI is InChI=1S/C26H26N6O4S/c1-4-5-17-6-7-18(12-19(17)16(2)33)22-14-37-25(29-22)30-24(35)21(13-36-3)28-23(34)20-8-11-32(31-20)26(15-27)9-10-26/h4-8,11-12,14,21H,9-10,13H2,1-3H3,(H,28,34)(H,29,30,35)/b5-4-.

What are the key properties of N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide?

N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide has a molecular weight of 518.60 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[3-acetyl-4-[(Z)-prop-1-enyl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-(1-cyanocyclopropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 154667789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).