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

C27H30N8O — CID 156634858

IUPAC7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H30N8O/c36-26(31-20-6-2-1-3-7-20)23-16-19-17-30-27(33-25(19)35(23)21-8-4-5-9-21)32-24-11-10-22(18-29-24)34-14-12-28-13-15-34/h1-3,6-7,10-11,16-18,21,28H,4-5,8-9,12-15H2,(H,31,36)(H,29,30,32,33)
InChIKeyDFQHKYRGJBTDLZ-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.35
Rot. Bonds6

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

7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 156634858) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID156634858
Molecular FormulaC27H30N8O
Molecular Weight482.59 g/mol
Exact Mass482.25
IUPAC Name7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H30N8O/c36-26(31-20-6-2-1-3-7-20)23-16-19-17-30-27(33-25(19)35(23)21-8-4-5-9-21)32-24-11-10-22(18-29-24)34-14-12-28-13-15-34/h1-3,6-7,10-11,16-18,21,28H,4-5,8-9,12-15H2,(H,31,36)(H,29,30,32,33)
InChIKeyDFQHKYRGJBTDLZ-UHFFFAOYSA-N
XLogP4.35
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 156634858) is 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DFQHKYRGJBTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c36-26(31-20-6-2-1-3-7-20)23-16-19-17-30-27(33-25(19)35(23)21-8-4-5-9-21)32-24-11-10-22(18-29-24)34-14-12-28-13-15-34/h1-3,6-7,10-11,16-18,21,28H,4-5,8-9,12-15H2,(H,31,36)(H,29,30,32,33).
What are the key properties of 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-phenyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 156634858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).