[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone

C17H22N6O — CID 133408843

IUPAC[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
SMILESNc1ccc2c(N3CCN(C(=O)C4CCCC4)CC3)ncnc2n1
InChIInChI=1S/C17H22N6O/c18-14-6-5-13-15(21-14)19-11-20-16(13)22-7-9-23(10-8-22)17(24)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H2,18,19,20,21)
InChIKeyDUXATMKTQMDEOG-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.45
Rot. Bonds2

About [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone

[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 133408843) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID133408843
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
SMILESNc1ccc2c(N3CCN(C(=O)C4CCCC4)CC3)ncnc2n1
InChIInChI=1S/C17H22N6O/c18-14-6-5-13-15(21-14)19-11-20-16(13)22-7-9-23(10-8-22)17(24)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H2,18,19,20,21)
InChIKeyDUXATMKTQMDEOG-UHFFFAOYSA-N
XLogP1.45
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone (CID 133408843) is [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone is Nc1ccc2c(N3CCN(C(=O)C4CCCC4)CC3)ncnc2n1.
What is the InChIKey of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is DUXATMKTQMDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-14-6-5-13-15(21-14)19-11-20-16(13)22-7-9-23(10-8-22)17(24)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H2,18,19,20,21).
What are the key properties of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone?
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 133408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).