carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one

C20H23FN8O4 — CID 129094370

IUPACcarbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one
SMILESNC(=O)O.O=C1COCCN1c1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cc1F
InChIInChI=1S/C19H20FN7O2.CH3NO2/c20-14-9-13(5-6-16(14)26-7-8-29-11-17(26)28)27-18-15(24-25-27)10-21-19(23-18)22-12-3-1-2-4-12;2-1(3)4/h5-6,9-10,12H,1-4,7-8,11H2,(H,21,22,23);2H2,(H,3,4)
InChIKeyRNVXLQAXCAUKHZ-UHFFFAOYSA-N
MW458.45 g/mol
LogP1.69
Rot. Bonds4

About carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one

carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one (PubChem CID 129094370) has the molecular formula C20H23FN8O4 and a molecular weight of 458.45 g/mol. Its IUPAC name is carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one.

Molecular Properties

Compound Namecarbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one
PubChem CID129094370
Molecular FormulaC20H23FN8O4
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Namecarbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one
SMILESNC(=O)O.O=C1COCCN1c1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cc1F
InChIInChI=1S/C19H20FN7O2.CH3NO2/c20-14-9-13(5-6-16(14)26-7-8-29-11-17(26)28)27-18-15(24-25-27)10-21-19(23-18)22-12-3-1-2-4-12;2-1(3)4/h5-6,9-10,12H,1-4,7-8,11H2,(H,21,22,23);2H2,(H,3,4)
InChIKeyRNVXLQAXCAUKHZ-UHFFFAOYSA-N
XLogP1.69
TPSA161.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

trans-(1R,3R)-3-[[3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389986
carbamic acid;2-[4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]pyrazol-1-yl]ethanol
CID 129094286
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
CID 144695350
carbamic acid;(2R)-3-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 129094426
3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
CID 144695368
2-[4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]pyrazol-1-yl]ethanol
CID 129094287
trans-(1R,3R)-3-[[3-(1H-indazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 86279381
(1R)-3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 129109057
carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094403
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129108828

Frequently Asked Questions

What is the IUPAC name of carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one?
The IUPAC name of carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one (CID 129094370) is carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one.
What is the SMILES notation for carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one?
The canonical SMILES for carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one is NC(=O)O.O=C1COCCN1c1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cc1F.
What is the InChIKey of carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one?
The InChIKey is RNVXLQAXCAUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2.CH3NO2/c20-14-9-13(5-6-16(14)26-7-8-29-11-17(26)28)27-18-15(24-25-27)10-21-19(23-18)22-12-3-1-2-4-12;2-1(3)4/h5-6,9-10,12H,1-4,7-8,11H2,(H,21,22,23);2H2,(H,3,4).
What are the key properties of carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one?
carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one has a molecular weight of 458.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]morpholin-3-one is sourced from PubChem (CID 129094370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).