2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

C30H42N8O2 — CID 70900609

About 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 70900609) has the molecular formula C30H42N8O2 and a molecular weight of 546.72 g/mol. Its IUPAC name is 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 70900609
• Molecular Formula: C30H42N8O2
• Molecular Weight: 546.72 g/mol
• Exact Mass: 546.34
• IUPAC Name: 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)C1Cc2cnc(Nc3ccc(N4CCN(C(=O)C5CCCCC5)CC4)cn3)nc2N1C1CCCC1
• InChI: InChI=1S/C30H42N8O2/c1-35(2)29(40)25-18-22-19-32-30(34-27(22)38(25)23-10-6-7-11-23)33-26-13-12-24(20-31-26)36-14-16-37(17-15-36)28(39)21-8-4-3-5-9-21/h12-13,19-21,23,25H,3-11,14-18H2,1-2H3,(H,31,32,33,34)
• InChIKey: FFYUKVJVKYTZRS-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 97.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.72
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 70900609) is 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)C1Cc2cnc(Nc3ccc(N4CCN(C(=O)C5CCCCC5)CC4)cn3)nc2N1C1CCCC1.

What is the InChIKey of 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is FFYUKVJVKYTZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N8O2/c1-35(2)29(40)25-18-22-19-32-30(34-27(22)38(25)23-10-6-7-11-23)33-26-13-12-24(20-31-26)36-14-16-37(17-15-36)28(39)21-8-4-3-5-9-21/h12-13,19-21,23,25H,3-11,14-18H2,1-2H3,(H,31,32,33,34).

What are the key properties of 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?

2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 546.72 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 70900609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).