phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

C24H24N6O2 — CID 58270358

IUPACphenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCc1ncccc1Nc1ncnc2c1ccn2C1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c1-17-21(8-5-12-25-17)28-22-20-11-15-30(23(20)27-16-26-22)18-9-13-29(14-10-18)24(31)32-19-6-3-2-4-7-19/h2-8,11-12,15-16,18H,9-10,13-14H2,1H3,(H,26,27,28)
InChIKeyFLOPUEBRGKUTCO-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.71
Rot. Bonds4

About phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 58270358) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID58270358
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Namephenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCc1ncccc1Nc1ncnc2c1ccn2C1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c1-17-21(8-5-12-25-17)28-22-20-11-15-30(23(20)27-16-26-22)18-9-13-29(14-10-18)24(31)32-19-6-3-2-4-7-19/h2-8,11-12,15-16,18H,9-10,13-14H2,1H3,(H,26,27,28)
InChIKeyFLOPUEBRGKUTCO-UHFFFAOYSA-N
XLogP4.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (CID 58270358) is phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is Cc1ncccc1Nc1ncnc2c1ccn2C1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is FLOPUEBRGKUTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-21(8-5-12-25-17)28-22-20-11-15-30(23(20)27-16-26-22)18-9-13-29(14-10-18)24(31)32-19-6-3-2-4-7-19/h2-8,11-12,15-16,18H,9-10,13-14H2,1H3,(H,26,27,28).
What are the key properties of phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 428.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).