7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C28H32N8O — CID 156634862

IUPAC7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C28H32N8O/c1-19-6-2-5-9-23(19)32-27(37)24-16-20-17-31-28(34-26(20)36(24)21-7-3-4-8-21)33-25-11-10-22(18-30-25)35-14-12-29-13-15-35/h2,5-6,9-11,16-18,21,29H,3-4,7-8,12-15H2,1H3,(H,32,37)(H,30,31,33,34)
InChIKeyZSHKDJHZNZUYQM-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.66
Rot. Bonds6

About 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 156634862) has the molecular formula C28H32N8O and a molecular weight of 496.62 g/mol. Its IUPAC name is 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID156634862
Molecular FormulaC28H32N8O
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC Name7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C28H32N8O/c1-19-6-2-5-9-23(19)32-27(37)24-16-20-17-31-28(34-26(20)36(24)21-7-3-4-8-21)33-25-11-10-22(18-30-25)35-14-12-29-13-15-35/h2,5-6,9-11,16-18,21,29H,3-4,7-8,12-15H2,1H3,(H,32,37)(H,30,31,33,34)
InChIKeyZSHKDJHZNZUYQM-UHFFFAOYSA-N
XLogP4.66
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 156634862) is 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1ccccc1NC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZSHKDJHZNZUYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O/c1-19-6-2-5-9-23(19)32-27(37)24-16-20-17-31-28(34-26(20)36(24)21-7-3-4-8-21)33-25-11-10-22(18-30-25)35-14-12-29-13-15-35/h2,5-6,9-11,16-18,21,29H,3-4,7-8,12-15H2,1H3,(H,32,37)(H,30,31,33,34).
What are the key properties of 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-(2-methylphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 156634862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).