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 163575421

IUPACN-[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(NC3CC34CCc3nc[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)
InChIKeyGDAQBDIIJXCDEB-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.14
Rot. Bonds4

About 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

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 163575421) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 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 NameN-[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 CID163575421
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC NameN-[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(NC3CC34CCc3nc[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)
InChIKeyGDAQBDIIJXCDEB-UHFFFAOYSA-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 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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Related Compounds

(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
5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 135376593
(3R)-8-fluoro-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 146406312
5-[7-[[(1'S,2S)-5-hydroxyspiro[1,3-dihydroindene-2,2'-cyclopropane]-1'-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile
CID 142460222
5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 140944726
5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(5-propyl-1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460309
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 167320617
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
1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 135363335
(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
(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
5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 135376544

Frequently Asked Questions

What is the IUPAC name of 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 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 163575421) is 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 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 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(NC3CC34CCc3nc[nH]c3C4)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 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?
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 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 163575421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).