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

C52H62N10O2 — CID 165106385

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
SMILESCC(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/2C26H31N5O/c2*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/h2*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
InChIKeyZEVPTZZVMICPGX-GURKPNMWSA-N
MW859.14 g/mol
LogP10.23
Rot. Bonds8

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-[(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 (PubChem CID 165106385) has the molecular formula C52H62N10O2 and a molecular weight of 859.14 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.

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
PubChem CID165106385
Molecular FormulaC52H62N10O2
Molecular Weight859.14 g/mol
Exact Mass858.51
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
SMILESCC(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/2C26H31N5O/c2*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/h2*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
InChIKeyZEVPTZZVMICPGX-GURKPNMWSA-N
XLogP10.23
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.14
LogP ≤ 510.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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 with MolForge

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Related Compounds

4-[3-[(3S,4R)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216620
4-[3-[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 123584306
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
2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 164957385
2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165087180
N-[1-[5-fluoro-2-[2-(oxan-4-yl)ethyl]phenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 170260773
2-(5-fluoro-3-pyridinyl)-8-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165004544
2-(5-fluoro-3-pyridinyl)-8-(4-methoxybutan-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165004545
2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165004546
7-N-[(1S)-1-phenylethyl]-5-N-[6-[[7-[[(1S)-1-phenylethyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]hexyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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1-[[1,6-Diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[[4-methyl-3-[3-(piperidin-4-ylmethyl)phenyl]phenyl]methyl]urea
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1-[[1,6-Diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]urea
CID 44223382

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?
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 (CID 165106385) 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.
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?
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 is 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?
The InChIKey is ZEVPTZZVMICPGX-GURKPNMWSA-N. The full InChI is InChI=1S/2C26H31N5O/c2*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/h2*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-[(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 has a molecular weight of 859.14 g/mol, XLogP of 10.23, 8 rotatable bonds, 2 hydrogen bond donors, and 12 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 is sourced from PubChem (CID 165106385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).