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

C24H29N7O — CID 140944742

IUPACN-(2-morpholin-4-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(N3CCOCC3)nc12
InChIInChI=1S/C24H29N7O/c1-15(2)19-14-25-31-22(19)28-23(30-9-11-32-12-10-30)29-24(31)26-16-7-8-21-18(13-16)17-5-3-4-6-20(17)27-21/h3-6,14-16,27H,7-13H2,1-2H3,(H,26,28,29)
InChIKeyHOAQYNSLUONHIV-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.54
Rot. Bonds4

About N-(2-morpholin-4-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-morpholin-4-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 140944742) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2-morpholin-4-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-morpholin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID140944742
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-(2-morpholin-4-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(N3CCOCC3)nc12
InChIInChI=1S/C24H29N7O/c1-15(2)19-14-25-31-22(19)28-23(30-9-11-32-12-10-30)29-24(31)26-16-7-8-21-18(13-16)17-5-3-4-6-20(17)27-21/h3-6,14-16,27H,7-13H2,1-2H3,(H,26,28,29)
InChIKeyHOAQYNSLUONHIV-UHFFFAOYSA-N
XLogP3.54
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-morpholin-4-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-morpholin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 140944742) is N-(2-morpholin-4-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-morpholin-4-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-morpholin-4-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(N3CCOCC3)nc12.
What is the InChIKey of N-(2-morpholin-4-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 HOAQYNSLUONHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15(2)19-14-25-31-22(19)28-23(30-9-11-32-12-10-30)29-24(31)26-16-7-8-21-18(13-16)17-5-3-4-6-20(17)27-21/h3-6,14-16,27H,7-13H2,1-2H3,(H,26,28,29).
What are the key properties of N-(2-morpholin-4-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-morpholin-4-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 431.54 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-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 140944742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).