N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine

C25H24FN7 — CID 164959333

IUPACN-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine
SMILESCC(C)c1cnn2c(NC3CCC4=C(C3)c3ccncc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H24FN7/c1-14(2)22-13-29-33-24(22)31-23(17-8-18(26)12-28-11-17)32-25(33)30-19-4-3-15-7-16-10-27-6-5-20(16)21(15)9-19/h5-6,8,10-14,19H,3-4,7,9H2,1-2H3,(H,30,31,32)
InChIKeyALLDDYBZPQTLEO-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.82
Rot. Bonds4

About N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine

N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine (PubChem CID 164959333) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine
PubChem CID164959333
Molecular FormulaC25H24FN7
Molecular Weight441.51 g/mol
Exact Mass441.21
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine
SMILESCC(C)c1cnn2c(NC3CCC4=C(C3)c3ccncc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H24FN7/c1-14(2)22-13-29-33-24(22)31-23(17-8-18(26)12-28-11-17)32-25(33)30-19-4-3-15-7-16-10-27-6-5-20(16)21(15)9-19/h5-6,8,10-14,19H,3-4,7,9H2,1-2H3,(H,30,31,32)
InChIKeyALLDDYBZPQTLEO-UHFFFAOYSA-N
XLogP4.82
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine (CID 164959333) is N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine is CC(C)c1cnn2c(NC3CCC4=C(C3)c3ccncc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine?
The InChIKey is ALLDDYBZPQTLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7/c1-14(2)22-13-29-33-24(22)31-23(17-8-18(26)12-28-11-17)32-25(33)30-19-4-3-15-7-16-10-27-6-5-20(16)21(15)9-19/h5-6,8,10-14,19H,3-4,7,9H2,1-2H3,(H,30,31,32).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine?
N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine has a molecular weight of 441.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridin-6-amine is sourced from PubChem (CID 164959333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).