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

C26H24N6O — CID 142460222

About 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

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 (PubChem CID 142460222) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 142460222
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: 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
• SMILES: CC(C)c1cnn2c(N[C@H]3C[C@@]34Cc3ccc(O)cc3C4)cc(-c3cncc(C#N)c3)nc12
• InChI: InChI=1S/C26H24N6O/c1-15(2)21-14-29-32-24(7-22(30-25(21)32)19-5-16(11-27)12-28-13-19)31-23-10-26(23)8-17-3-4-20(33)6-18(17)9-26/h3-7,12-15,23,31,33H,8-10H2,1-2H3/t23-,26-/m0/s1
• InChIKey: AZUPQXKLLXUUHI-OZXSUGGESA-N
• XLogP: 4.46
• TPSA: 99.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1cnn2c(N[C@H]3C[C@@]34Cc3ccc(O)cc3C4)cc(-c3cncc(C#N)c3)nc12.

What is the InChIKey of 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?

The InChIKey is AZUPQXKLLXUUHI-OZXSUGGESA-N. The full InChI is InChI=1S/C26H24N6O/c1-15(2)21-14-29-32-24(7-22(30-25(21)32)19-5-16(11-27)12-28-13-19)31-23-10-26(23)8-17-3-4-20(33)6-18(17)9-26/h3-7,12-15,23,31,33H,8-10H2,1-2H3/t23-,26-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 436.52 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 142460222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).