2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C78H93N15O3 — CID 165050170

IUPAC2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)nc(C3CCCOC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc([C@@H]3CCCOC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc([C@H]3CCCOC3)nc12
InChIInChI=1S/3C26H31N5O/c3*1-16(2)23-14-27-31-25(23)29-24(19-7-5-11-32-15-19)30-26(31)28-20-10-9-18-12-17-6-3-4-8-21(17)22(18)13-20/h3*3-4,6,8,14,16,19-20H,5,7,9-13,15H2,1-2H3,(H,28,29,30)/t19-,20+;19-,20-;/m01./s1
InChIKeyPNQYOQVDEBABBG-MBFOBAJLSA-N
MW1288.70 g/mol
LogP15.35
Rot. Bonds12

About 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 165050170) has the molecular formula C78H93N15O3 and a molecular weight of 1288.70 g/mol. Its IUPAC name is 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID165050170
Molecular FormulaC78H93N15O3
Molecular Weight1288.70 g/mol
Exact Mass1287.76
IUPAC Name2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)nc(C3CCCOC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc([C@@H]3CCCOC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc([C@H]3CCCOC3)nc12
InChIInChI=1S/3C26H31N5O/c3*1-16(2)23-14-27-31-25(23)29-24(19-7-5-11-32-15-19)30-26(31)28-20-10-9-18-12-17-6-3-4-8-21(17)22(18)13-20/h3*3-4,6,8,14,16,19-20H,5,7,9-13,15H2,1-2H3,(H,28,29,30)/t19-,20+;19-,20-;/m01./s1
InChIKeyPNQYOQVDEBABBG-MBFOBAJLSA-N
XLogP15.35
TPSA193.02 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.70
LogP ≤ 515.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158128485
(1R)-2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol;(1S)-2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol;2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol
CID 164994635
5-(1,4-Dioxa-8-azaspiro[4.5]decan-6-yl)-3-[1-methyl-2-[7-(piperidin-4-ylamino)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrazol-1-ium-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58837307
1-ethyl-3-[1-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidin-4-yl]-N-(oxan-4-yl)-6-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrazolo[5,4-b]pyridin-4-amine
CID 91511596
4-[[[7-(Benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-6-[3-[[[5-[[2-[2-[[[5-[(2-hydroxycyclohexyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]piperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]piperidin-3-ol
CID 123728110
5-[1-(benzylamino)propyl]-1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;5-(benzyliminomethyl)-1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 157188456
ethane;N-(3H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157524442
2-(4-aminocyclohexyl)oxy-N-[(1S)-1-phenylethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1S)-1-phenylethyl]-8-propan-2-yl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 157823929
N-[(2-cyclohexylphenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(2-cyclopropylphenyl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 157921562
ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157982185
4-N-[[2-(1H-inden-2-yl)phenyl]methyl]-2-N-(oxan-4-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 158084458
2-(3,6-dihydro-2H-pyran-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-methylsulfanyl-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-4-yl)-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158091309

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 165050170) is 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)nc(C3CCCOC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc([C@@H]3CCCOC3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc([C@H]3CCCOC3)nc12.
What is the InChIKey of 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is PNQYOQVDEBABBG-MBFOBAJLSA-N. The full InChI is InChI=1S/3C26H31N5O/c3*1-16(2)23-14-27-31-25(23)29-24(19-7-5-11-32-15-19)30-26(31)28-20-10-9-18-12-17-6-3-4-8-21(17)22(18)13-20/h3*3-4,6,8,14,16,19-20H,5,7,9-13,15H2,1-2H3,(H,28,29,30)/t19-,20+;19-,20-;/m01./s1.
What are the key properties of 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 1288.70 g/mol, XLogP of 15.35, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(oxan-3-yl)-8-propan-2-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 165050170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).