(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

C24H22FN7 — CID 142460385

IUPAC(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
SMILESCC(C)c1cnn2c(N[C@H]3Cc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H22FN7/c1-13(2)19-12-27-32-23(19)30-22(14-7-15(25)11-26-10-14)31-24(32)28-16-8-18-17-5-3-4-6-20(17)29-21(18)9-16/h3-7,10-13,16,29H,8-9H2,1-2H3,(H,28,30,31)/t16-/m1/s1
InChIKeyVWXRIMHQTVONKV-MRXNPFEDSA-N
MW427.49 g/mol
LogP4.51
Rot. Bonds4

About (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

(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 (PubChem CID 142460385) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142460385
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name(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
SMILESCC(C)c1cnn2c(N[C@H]3Cc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H22FN7/c1-13(2)19-12-27-32-23(19)30-22(14-7-15(25)11-26-10-14)31-24(32)28-16-8-18-17-5-3-4-6-20(17)29-21(18)9-16/h3-7,10-13,16,29H,8-9H2,1-2H3,(H,28,30,31)/t16-/m1/s1
InChIKeyVWXRIMHQTVONKV-MRXNPFEDSA-N
XLogP4.51
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

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
[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
(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-[(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
2,2,2-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
2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165038522
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-(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
(3S)-6-fluoro-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;sulfane
CID 157209870
(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
N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 142460238
2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159796267

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1cnn2c(N[C@H]3Cc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of (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?
The InChIKey is VWXRIMHQTVONKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22FN7/c1-13(2)19-12-27-32-23(19)30-22(14-7-15(25)11-26-10-14)31-24(32)28-16-8-18-17-5-3-4-6-20(17)29-21(18)9-16/h3-7,10-13,16,29H,8-9H2,1-2H3,(H,28,30,31)/t16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 427.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 142460385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).