(1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine

C23H24FN7 — CID 142460402

IUPAC(1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine
SMILESCC(C)c1cnn2c(N[C@H]3CC34CCc3nc[nH]c3C4)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H24FN7/c1-13(2)16-11-28-31-21(6-18(29-22(16)31)14-5-15(24)10-25-9-14)30-20-8-23(20)4-3-17-19(7-23)27-12-26-17/h5-6,9-13,20,30H,3-4,7-8H2,1-2H3,(H,26,27)/t20-,23?/m0/s1
InChIKeyGDAQBDIIJXCDEB-AJZOCDQUSA-N
MW417.49 g/mol
LogP4.14
Rot. Bonds4

About (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine

(1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine (PubChem CID 142460402) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name(1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine
PubChem CID142460402
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name(1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine
SMILESCC(C)c1cnn2c(N[C@H]3CC34CCc3nc[nH]c3C4)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H24FN7/c1-13(2)16-11-28-31-21(6-18(29-22(16)31)14-5-15(24)10-25-9-14)30-20-8-23(20)4-3-17-19(7-23)27-12-26-17/h5-6,9-13,20,30H,3-4,7-8H2,1-2H3,(H,26,27)/t20-,23?/m0/s1
InChIKeyGDAQBDIIJXCDEB-AJZOCDQUSA-N
XLogP4.14
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine?
The IUPAC name of (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine (CID 142460402) is (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine.
What is the SMILES notation for (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine?
The canonical SMILES for (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine is CC(C)c1cnn2c(N[C@H]3CC34CCc3nc[nH]c3C4)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine?
The InChIKey is GDAQBDIIJXCDEB-AJZOCDQUSA-N. The full InChI is InChI=1S/C23H24FN7/c1-13(2)16-11-28-31-21(6-18(29-22(16)31)14-5-15(24)10-25-9-14)30-20-8-23(20)4-3-17-19(7-23)27-12-26-17/h5-6,9-13,20,30H,3-4,7-8H2,1-2H3,(H,26,27)/t20-,23?/m0/s1.
What are the key properties of (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine?
(1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine has a molecular weight of 417.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S)-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]spiro[1,4,5,7-tetrahydrobenzimidazole-6,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 142460402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).