N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C27H26FN7O — CID 164761743

IUPACN-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESC=C(CCOC)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C27H26FN7O/c1-16(9-10-36-2)22-15-30-35-26(22)33-25(17-11-18(28)14-29-13-17)34-27(35)31-19-7-8-24-21(12-19)20-5-3-4-6-23(20)32-24/h3-6,11,13-15,19,32H,1,7-10,12H2,2H3,(H,31,33,34)
InChIKeyDZVBVWVNQVUWGZ-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.83
Rot. Bonds7

About N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 164761743) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID164761743
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESC=C(CCOC)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C27H26FN7O/c1-16(9-10-36-2)22-15-30-35-26(22)33-25(17-11-18(28)14-29-13-17)34-27(35)31-19-7-8-24-21(12-19)20-5-3-4-6-23(20)32-24/h3-6,11,13-15,19,32H,1,7-10,12H2,2H3,(H,31,33,34)
InChIKeyDZVBVWVNQVUWGZ-UHFFFAOYSA-N
XLogP4.83
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.83
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-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 164761743) is N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[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-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is C=C(CCOC)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is DZVBVWVNQVUWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-16(9-10-36-2)22-15-30-35-26(22)33-25(17-11-18(28)14-29-13-17)34-27(35)31-19-7-8-24-21(12-19)20-5-3-4-6-23(20)32-24/h3-6,11,13-15,19,32H,1,7-10,12H2,2H3,(H,31,33,34).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 483.55 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 164761743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).