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

C19H23FN8O — CID 177003483

IUPAC8-(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
SMILESF[C@@H]1COCC[C@@H]1Nc1nc2c(N3CC4CCC3C4)c(-c3cn[nH]c3)ncn2n1
InChIInChI=1S/C19H23FN8O/c20-14-9-29-4-3-15(14)24-19-25-18-17(27-8-11-1-2-13(27)5-11)16(12-6-22-23-7-12)21-10-28(18)26-19/h6-7,10-11,13-15H,1-5,8-9H2,(H,22,23)(H,24,26)/t11?,13?,14-,15+/m1/s1
InChIKeyFBFRFMGNKZEQMZ-AXVKAWJUSA-N
MW398.45 g/mol
LogP2.04
Rot. Bonds4

About 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

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 (PubChem CID 177003483) has the molecular formula C19H23FN8O and a molecular weight of 398.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID177003483
Molecular FormulaC19H23FN8O
Molecular Weight398.45 g/mol
Exact Mass398.20
IUPAC Name8-(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
SMILESF[C@@H]1COCC[C@@H]1Nc1nc2c(N3CC4CCC3C4)c(-c3cn[nH]c3)ncn2n1
InChIInChI=1S/C19H23FN8O/c20-14-9-29-4-3-15(14)24-19-25-18-17(27-8-11-1-2-13(27)5-11)16(12-6-22-23-7-12)21-10-28(18)26-19/h6-7,10-11,13-15H,1-5,8-9H2,(H,22,23)(H,24,26)/t11?,13?,14-,15+/m1/s1
InChIKeyFBFRFMGNKZEQMZ-AXVKAWJUSA-N
XLogP2.04
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
(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
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
8-ethoxy-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 172627612
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
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
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
5-chloro-7-(4-chlorophenyl)-N-[(3S,4S)-3-fluorooxan-4-yl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688868
4-[8-(2,6-difluoroanilino)-2-[[(3S,4S)-3-fluorooxan-4-yl]amino]purin-9-yl]cyclohexane-1-carboxamide
CID 121254181
2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
CID 71246766
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
1-[2-[(3-fluorooxan-4-yl)amino]-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]pyrrolidine-3-carbonitrile
CID 177003550

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is F[C@@H]1COCC[C@@H]1Nc1nc2c(N3CC4CCC3C4)c(-c3cn[nH]c3)ncn2n1.
What is the InChIKey of 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?
The InChIKey is FBFRFMGNKZEQMZ-AXVKAWJUSA-N. The full InChI is InChI=1S/C19H23FN8O/c20-14-9-29-4-3-15(14)24-19-25-18-17(27-8-11-1-2-13(27)5-11)16(12-6-22-23-7-12)21-10-28(18)26-19/h6-7,10-11,13-15H,1-5,8-9H2,(H,22,23)(H,24,26)/t11?,13?,14-,15+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 398.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177003483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).