6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C21H26N8O — CID 5330266

IUPAC6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESNc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H26N8O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10,22H2,(H,24,25,26,27)
InChIKeyGJBLNUDSTOSOBO-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.04
Rot. Bonds4

About 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330266) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330266
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESNc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H26N8O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10,22H2,(H,24,25,26,27)
InChIKeyGJBLNUDSTOSOBO-UHFFFAOYSA-N
XLogP2.04
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330266) is 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is Nc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GJBLNUDSTOSOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28/h5-6,11-13,15,23H,1-4,7-10,22H2,(H,24,25,26,27).
What are the key properties of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 406.49 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).