7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine

C26H38N8O4 — CID 175224068

About 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine

7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine (PubChem CID 175224068) has the molecular formula C26H38N8O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
• PubChem CID: 175224068
• Molecular Formula: C26H38N8O4
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.30
• IUPAC Name: 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
• SMILES: CNC.O=C(O)c1cc2cnc(Nc3ccc(N4CCN(C[C@@H](O)CO)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C24H31N7O4.C2H7N/c32-15-19(33)14-29-7-9-30(10-8-29)18-5-6-21(25-13-18)27-24-26-12-16-11-20(23(34)35)31(22(16)28-24)17-3-1-2-4-17;1-3-2/h5-6,11-13,17,19,32-33H,1-4,7-10,14-15H2,(H,34,35)(H,25,26,27,28);3H,1-2H3/t19-;/m1./s1
• InChIKey: CSAVLAYPTFYUOW-FSRHSHDFSA-N
• XLogP: 1.69
• TPSA: 151.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine?

The IUPAC name of 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine (CID 175224068) is 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine.

What is the SMILES notation for 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine?

The canonical SMILES for 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine is CNC.O=C(O)c1cc2cnc(Nc3ccc(N4CCN(C[C@@H](O)CO)CC4)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine?

The InChIKey is CSAVLAYPTFYUOW-FSRHSHDFSA-N. The full InChI is InChI=1S/C24H31N7O4.C2H7N/c32-15-19(33)14-29-7-9-30(10-8-29)18-5-6-21(25-13-18)27-24-26-12-16-11-20(23(34)35)31(22(16)28-24)17-3-1-2-4-17;1-3-2/h5-6,11-13,17,19,32-33H,1-4,7-10,14-15H2,(H,34,35)(H,25,26,27,28);3H,1-2H3/t19-;/m1./s1.

What are the key properties of 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine?

7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine has a molecular weight of 526.64 g/mol, XLogP of 1.69, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine is sourced from PubChem (CID 175224068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).