8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one

C18H17N7O — CID 163633208

IUPAC8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one
SMILESO=c1cnc2cnc(Nc3ccc4[nH]ncc4c3)nc2n1C1CCCC1
InChIInChI=1S/C18H17N7O/c26-16-10-19-15-9-20-18(23-17(15)25(16)13-3-1-2-4-13)22-12-5-6-14-11(7-12)8-21-24-14/h5-10,13H,1-4H2,(H,21,24)(H,20,22,23)
InChIKeyHXWVGVJPZWPZCY-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.92
Rot. Bonds3

About 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one

8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one (PubChem CID 163633208) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one
PubChem CID163633208
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one
SMILESO=c1cnc2cnc(Nc3ccc4[nH]ncc4c3)nc2n1C1CCCC1
InChIInChI=1S/C18H17N7O/c26-16-10-19-15-9-20-18(23-17(15)25(16)13-3-1-2-4-13)22-12-5-6-14-11(7-12)8-21-24-14/h5-10,13H,1-4H2,(H,21,24)(H,20,22,23)
InChIKeyHXWVGVJPZWPZCY-UHFFFAOYSA-N
XLogP2.92
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyclopentyl-2-[4-(4-prop-2-ynylpiperazin-1-yl)anilino]pteridin-7-one
CID 170695290
9-cyclopentyl-2-(1H-indazol-5-ylamino)-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 51347086
9-cyclopentyl-2-(1H-indazol-5-ylamino)-5-methylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one
CID 70794562
tert-butyl 2-[4-[(8-cyclopentyl-7-oxopteridin-2-yl)amino]phenyl]piperazine-1-carboxylate
CID 175983867
(7R)-8-cyclohexyl-2-(1H-indazol-5-ylamino)-7-methyl-5-(4-methylphenyl)-7H-pteridin-6-one
CID 71566133
2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide
CID 11632859
disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677690
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
8-cyclopentyl-2-[4-(diethylphosphoryloxymethyl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 175240498
2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130365
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-fluorophenyl)purine-2,8-diamine;methane
CID 159515846

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one?
The IUPAC name of 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one (CID 163633208) is 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one is O=c1cnc2cnc(Nc3ccc4[nH]ncc4c3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one?
The InChIKey is HXWVGVJPZWPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c26-16-10-19-15-9-20-18(23-17(15)25(16)13-3-1-2-4-13)22-12-5-6-14-11(7-12)8-21-24-14/h5-10,13H,1-4H2,(H,21,24)(H,20,22,23).
What are the key properties of 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one?
8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one has a molecular weight of 347.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one is sourced from PubChem (CID 163633208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).