5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one

C23H28N10O2 — CID 155525072

IUPAC5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C23H28N10O2/c34-14-13-30-9-11-31(12-10-30)17-7-5-16(6-8-17)25-23-24-15-19-20(26-23)32(18-3-1-2-4-18)22(35)21-27-28-29-33(19)21/h5-8,15,18,34H,1-4,9-14H2,(H,24,25,26)
InChIKeyAUFJNMYRUCPXNI-UHFFFAOYSA-N
MW476.55 g/mol
LogP1.20
Rot. Bonds6

About 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one

5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one (PubChem CID 155525072) has the molecular formula C23H28N10O2 and a molecular weight of 476.55 g/mol. Its IUPAC name is 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
PubChem CID155525072
Molecular FormulaC23H28N10O2
Molecular Weight476.55 g/mol
Exact Mass476.24
IUPAC Name5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
SMILESO=c1c2nnnn2c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C23H28N10O2/c34-14-13-30-9-11-31(12-10-30)17-7-5-16(6-8-17)25-23-24-15-19-20(26-23)32(18-3-1-2-4-18)22(35)21-27-28-29-33(19)21/h5-8,15,18,34H,1-4,9-14H2,(H,24,25,26)
InChIKeyAUFJNMYRUCPXNI-UHFFFAOYSA-N
XLogP1.20
TPSA129.60 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-7-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one
CID 155561998
8-cyclopentyl-2-[4-(4-prop-2-ynylpiperazin-1-yl)anilino]pteridin-7-one
CID 170695290
6-bromo-8-cyclopentyl-5-methyl-2-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10166653
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]-8-(1-prop-2-enoylpiperidin-3-yl)pyrimido[4,5-d]pyrimidin-5-one
CID 122474947
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
1-cyclopentyl-7-[4-(3-hydroxypiperidin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 68860000
1-[4-[(8-cyclohexyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidine-4-carboxylic acid
CID 18375092
7-cyclopentyl-2-[4-[2-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]ethyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586152
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
7-cyclopentyl-2-[[5-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 123614901
8-cyclopentyl-5-methyl-2-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10114562

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
The IUPAC name of 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one (CID 155525072) is 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one.
What is the SMILES notation for 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
The canonical SMILES for 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one is O=c1c2nnnn2c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
The InChIKey is AUFJNMYRUCPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N10O2/c34-14-13-30-9-11-31(12-10-30)17-7-5-16(6-8-17)25-23-24-15-19-20(26-23)32(18-3-1-2-4-18)22(35)21-27-28-29-33(19)21/h5-8,15,18,34H,1-4,9-14H2,(H,24,25,26).
What are the key properties of 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one?
5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one has a molecular weight of 476.55 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-7-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]tetrazolo[1,5-f]pteridin-4-one is sourced from PubChem (CID 155525072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).