1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one

C26H27N7O — CID 140944663

IUPAC1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3ccc(=O)n(C)c3)nc12
InChIInChI=1S/C26H27N7O/c1-15(2)20-13-27-33-25(20)30-24(16-8-11-23(34)32(3)14-16)31-26(33)28-17-9-10-22-19(12-17)18-6-4-5-7-21(18)29-22/h4-8,11,13-15,17,29H,9-10,12H2,1-3H3,(H,28,30,31)
InChIKeyBNZPBAKHDHUEES-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.06
Rot. Bonds4

About 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one

1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one (PubChem CID 140944663) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one
PubChem CID140944663
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3ccc(=O)n(C)c3)nc12
InChIInChI=1S/C26H27N7O/c1-15(2)20-13-27-33-25(20)30-24(16-8-11-23(34)32(3)14-16)31-26(33)28-17-9-10-22-19(12-17)18-6-4-5-7-21(18)29-22/h4-8,11,13-15,17,29H,9-10,12H2,1-3H3,(H,28,30,31)
InChIKeyBNZPBAKHDHUEES-UHFFFAOYSA-N
XLogP4.06
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.06
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 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one (CID 140944663) is 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one is CC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3ccc(=O)n(C)c3)nc12.
What is the InChIKey of 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one?
The InChIKey is BNZPBAKHDHUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-15(2)20-13-27-33-25(20)30-24(16-8-11-23(34)32(3)14-16)31-26(33)28-17-9-10-22-19(12-17)18-6-4-5-7-21(18)29-22/h4-8,11,13-15,17,29H,9-10,12H2,1-3H3,(H,28,30,31).
What are the key properties of 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one?
1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one has a molecular weight of 453.55 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[8-propan-2-yl-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]pyridin-2-one is sourced from PubChem (CID 140944663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).