N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide

C25H28N10O4 — CID 68814579

About N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide

N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide (PubChem CID 68814579) has the molecular formula C25H28N10O4 and a molecular weight of 532.57 g/mol. Its IUPAC name is N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide.

Molecular Properties

• Compound Name: N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide
• PubChem CID: 68814579
• Molecular Formula: C25H28N10O4
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.23
• IUPAC Name: N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide
• SMILES: CC(=O)NNC(=O)c1cc(NC2=CC(C)NN2C(C)=O)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1
• InChI: InChI=1S/C25H28N10O4/c1-14-11-23(35(32-14)16(3)37)28-22-13-19(24(38)31-30-15(2)36)27-25(29-22)34-10-6-8-20(34)21-12-18(33-39-21)17-7-4-5-9-26-17/h4-5,7,9,11-14,20,32H,6,8,10H2,1-3H3,(H,30,36)(H,31,38)(H,27,28,29)
• InChIKey: CFIRGWYFZJBDTP-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 170.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide?

The IUPAC name of N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide (CID 68814579) is N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide.

What is the SMILES notation for N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide?

The canonical SMILES for N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide is CC(=O)NNC(=O)c1cc(NC2=CC(C)NN2C(C)=O)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1.

What is the InChIKey of N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide?

The InChIKey is CFIRGWYFZJBDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O4/c1-14-11-23(35(32-14)16(3)37)28-22-13-19(24(38)31-30-15(2)36)27-25(29-22)34-10-6-8-20(34)21-12-18(33-39-21)17-7-4-5-9-26-17/h4-5,7,9,11-14,20,32H,6,8,10H2,1-3H3,(H,30,36)(H,31,38)(H,27,28,29).

What are the key properties of N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide?

N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide has a molecular weight of 532.57 g/mol, XLogP of 1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N'-acetyl-6-[(2-acetyl-5-methyl-1,5-dihydropyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carbohydrazide is sourced from PubChem (CID 68814579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).