N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C25H30N6O — CID 164761762

IUPACN-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc([C@H]3CCCOC3)nc12
InChIInChI=1S/C25H30N6O/c1-15(2)20-13-26-31-24(20)29-23(16-6-5-11-32-14-16)30-25(31)27-17-9-10-22-19(12-17)18-7-3-4-8-21(18)28-22/h3-4,7-8,13,15-17,28H,5-6,9-12,14H2,1-2H3,(H,27,29,30)/t16-,17?/m0/s1
InChIKeyVBNILYSURYGLCP-BHWOMJMDSA-N
MW430.56 g/mol
LogP4.59
Rot. Bonds4

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

N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 164761762) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID164761762
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc([C@H]3CCCOC3)nc12
InChIInChI=1S/C25H30N6O/c1-15(2)20-13-26-31-24(20)29-23(16-6-5-11-32-14-16)30-25(31)27-17-9-10-22-19(12-17)18-7-3-4-8-21(18)28-22/h3-4,7-8,13,15-17,28H,5-6,9-12,14H2,1-2H3,(H,27,29,30)/t16-,17?/m0/s1
InChIKeyVBNILYSURYGLCP-BHWOMJMDSA-N
XLogP4.59
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 164761762) is N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc([C@H]3CCCOC3)nc12.
What is the InChIKey of N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is VBNILYSURYGLCP-BHWOMJMDSA-N. The full InChI is InChI=1S/C25H30N6O/c1-15(2)20-13-26-31-24(20)29-23(16-6-5-11-32-14-16)30-25(31)27-17-9-10-22-19(12-17)18-7-3-4-8-21(18)28-22/h3-4,7-8,13,15-17,28H,5-6,9-12,14H2,1-2H3,(H,27,29,30)/t16-,17?/m0/s1.
What are the key properties of N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 430.56 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-oxan-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 164761762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).