N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C26H23F3N6 — CID 158521162

IUPACN-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@H]3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C26H23F3N6/c1-13(2)22-12-31-35-25(22)33-24(15-5-17(28)11-30-10-15)34-26(35)32-18-4-3-14-6-21-20(19(14)9-18)7-16(27)8-23(21)29/h5,7-8,10-13,18H,3-4,6,9H2,1-2H3,(H,32,33,34)/t18-/m0/s1
InChIKeyVIBGDKLUDPYSGZ-SFHVURJKSA-N
MW476.51 g/mol
LogP5.70
Rot. Bonds4

About N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 158521162) has the molecular formula C26H23F3N6 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID158521162
Molecular FormulaC26H23F3N6
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@H]3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C26H23F3N6/c1-13(2)22-12-31-35-25(22)33-24(15-5-17(28)11-30-10-15)34-26(35)32-18-4-3-14-6-21-20(19(14)9-18)7-16(27)8-23(21)29/h5,7-8,10-13,18H,3-4,6,9H2,1-2H3,(H,32,33,34)/t18-/m0/s1
InChIKeyVIBGDKLUDPYSGZ-SFHVURJKSA-N
XLogP5.70
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 158521162) is N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(N[C@H]3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is VIBGDKLUDPYSGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H23F3N6/c1-13(2)22-12-31-35-25(22)33-24(15-5-17(28)11-30-10-15)34-26(35)32-18-4-3-14-6-21-20(19(14)9-18)7-16(27)8-23(21)29/h5,7-8,10-13,18H,3-4,6,9H2,1-2H3,(H,32,33,34)/t18-/m0/s1.
What are the key properties of N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 476.51 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 158521162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).