7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C22H27N7O2 — CID 58015784

IUPAC7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12
InChIInChI=1S/C22H27N7O2/c1-14-17-13-25-22(26-18-7-6-16(12-24-18)28-10-8-23-9-11-28)27-20(17)29(19(14)21(30)31)15-4-2-3-5-15/h6-7,12-13,15,23H,2-5,8-11H2,1H3,(H,30,31)(H,24,25,26,27)
InChIKeyXSWVXFRGXFBTAD-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.10
Rot. Bonds5

About 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 58015784) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID58015784
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12
InChIInChI=1S/C22H27N7O2/c1-14-17-13-25-22(26-18-7-6-16(12-24-18)28-10-8-23-9-11-28)27-20(17)29(19(14)21(30)31)15-4-2-3-5-15/h6-7,12-13,15,23H,2-5,8-11H2,1H3,(H,30,31)(H,24,25,26,27)
InChIKeyXSWVXFRGXFBTAD-UHFFFAOYSA-N
XLogP3.10
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 58015784) is 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12.
What is the InChIKey of 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is XSWVXFRGXFBTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-17-13-25-22(26-18-7-6-16(12-24-18)28-10-8-23-9-11-28)27-20(17)29(19(14)21(30)31)15-4-2-3-5-15/h6-7,12-13,15,23H,2-5,8-11H2,1H3,(H,30,31)(H,24,25,26,27).
What are the key properties of 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 421.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 58015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).