2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine

C22H19FN8 — CID 156784476

IUPAC2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
SMILESNc1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN8/c23-13-7-12(9-25-10-13)20-29-21-17(24)11-26-31(21)22(30-20)27-14-5-6-19-16(8-14)15-3-1-2-4-18(15)28-19/h1-4,7,9-11,14,28H,5-6,8,24H2,(H,27,29,30)/t14-/m1/s1
InChIKeyYIMVZYTUXBBHAJ-CQSZACIVSA-N
MW414.45 g/mol
LogP3.36
Rot. Bonds3

About 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine

2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine (PubChem CID 156784476) has the molecular formula C22H19FN8 and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
PubChem CID156784476
Molecular FormulaC22H19FN8
Molecular Weight414.45 g/mol
Exact Mass414.17
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
SMILESNc1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN8/c23-13-7-12(9-25-10-13)20-29-21-17(24)11-26-31(21)22(30-20)27-14-5-6-19-16(8-14)15-3-1-2-4-18(15)28-19/h1-4,7,9-11,14,28H,5-6,8,24H2,(H,27,29,30)/t14-/m1/s1
InChIKeyYIMVZYTUXBBHAJ-CQSZACIVSA-N
XLogP3.36
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine with MolForge

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Related Compounds

[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanediol
CID 154946379
2-(5-fluoro-3-pyridinyl)-8-N,8-N-dimethyl-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
CID 135376701
2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol
CID 164761755
(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-(2-trimethylsilylethynyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 156784471
(2S)-2-[2-(5-fluoro-3-pyridinyl)-4-[[(3S)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 167057786
(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-(1H-imidazol-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 146406291
(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-[(2S)-1-methoxypropan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 156784489
2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]-4-methoxybutan-2-ol
CID 167057797
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
(2R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
CID 142460385
N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 140944743
(3R)-N-[5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 140944696

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine (CID 156784476) is 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine is Nc1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine?
The InChIKey is YIMVZYTUXBBHAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19FN8/c23-13-7-12(9-25-10-13)20-29-21-17(24)11-26-31(21)22(30-20)27-14-5-6-19-16(8-14)15-3-1-2-4-18(15)28-19/h1-4,7,9-11,14,28H,5-6,8,24H2,(H,27,29,30)/t14-/m1/s1.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine?
2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine has a molecular weight of 414.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine is sourced from PubChem (CID 156784476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).