N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C19H23FN8O2 — CID 177003450

IUPACN-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESF[C@@H]1COCC[C@@H]1Nc1nc2c(N3CCC34CCOC4)c(-c3cn[nH]c3)ncn2n1
InChIInChI=1S/C19H23FN8O2/c20-13-9-29-5-1-14(13)24-18-25-17-16(27-4-2-19(27)3-6-30-10-19)15(12-7-22-23-8-12)21-11-28(17)26-18/h7-8,11,13-14H,1-6,9-10H2,(H,22,23)(H,24,26)/t13-,14+,19?/m1/s1
InChIKeyCNZBWHVYOFUEMF-YCENCERGSA-N
MW414.45 g/mol
LogP1.42
Rot. Bonds4

About N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 177003450) has the molecular formula C19H23FN8O2 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID177003450
Molecular FormulaC19H23FN8O2
Molecular Weight414.45 g/mol
Exact Mass414.19
IUPAC NameN-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESF[C@@H]1COCC[C@@H]1Nc1nc2c(N3CCC34CCOC4)c(-c3cn[nH]c3)ncn2n1
InChIInChI=1S/C19H23FN8O2/c20-13-9-29-5-1-14(13)24-18-25-17-16(27-4-2-19(27)3-6-30-10-19)15(12-7-22-23-8-12)21-11-28(17)26-18/h7-8,11,13-14H,1-6,9-10H2,(H,22,23)(H,24,26)/t13-,14+,19?/m1/s1
InChIKeyCNZBWHVYOFUEMF-YCENCERGSA-N
XLogP1.42
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine with MolForge

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Related Compounds

(3R)-1-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-methylpyrrolidin-3-ol
CID 177003530
2-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,8-diamine
CID 177003670
8-(2-azabicyclo[2.2.1]heptan-2-yl)-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 177003483
8-ethoxy-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 172627612
N-[(6S)-6-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(1H-pyrazol-4-yl)-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 177003466
8-[3-(fluoromethyl)azetidin-1-yl]-N-propyl-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 177003477
5-chloro-7-(4-chlorophenyl)-N-[(3S,4S)-3-fluorooxan-4-yl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688868
5-chloro-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(3-methylbutan-2-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688837
4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide
CID 178128877
6-chloro-7-cyclopentyl-5-fluoro-N-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170063036
4-N-(4,4-dimethylcyclohexyl)-2-N-[(3S,4R)-3-fluorooxan-4-yl]-5-nitropyrimidine-2,4-diamine
CID 142554665
2-(cyclohexylamino)-4-(7-oxa-1-azaspiro[3.4]octan-1-yl)pyrimidine-5-carbonitrile
CID 166856972

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 177003450) is N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is F[C@@H]1COCC[C@@H]1Nc1nc2c(N3CCC34CCOC4)c(-c3cn[nH]c3)ncn2n1.
What is the InChIKey of N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is CNZBWHVYOFUEMF-YCENCERGSA-N. The full InChI is InChI=1S/C19H23FN8O2/c20-13-9-29-5-1-14(13)24-18-25-17-16(27-4-2-19(27)3-6-30-10-19)15(12-7-22-23-8-12)21-11-28(17)26-18/h7-8,11,13-14H,1-6,9-10H2,(H,22,23)(H,24,26)/t13-,14+,19?/m1/s1.
What are the key properties of N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 414.45 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 177003450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).