8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C27H31N7O2 — CID 155458964

About 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458964) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 155458964
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: CNC1(CN2Cc3ccc(Nc4ncc5cc(C#N)c(=O)n(C6CCCC6(C)O)c5n4)cc3C2)CC1
• InChI: InChI=1S/C27H31N7O2/c1-26(36)7-3-4-22(26)34-23-19(10-18(12-28)24(34)35)13-30-25(32-23)31-21-6-5-17-14-33(15-20(17)11-21)16-27(29-2)8-9-27/h5-6,10-11,13,22,29,36H,3-4,7-9,14-16H2,1-2H3,(H,30,31,32)
• InChIKey: PXIVVJNHQWAPNI-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 119.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458964) is 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CNC1(CN2Cc3ccc(Nc4ncc5cc(C#N)c(=O)n(C6CCCC6(C)O)c5n4)cc3C2)CC1.

What is the InChIKey of 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is PXIVVJNHQWAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-26(36)7-3-4-22(26)34-23-19(10-18(12-28)24(34)35)13-30-25(32-23)31-21-6-5-17-14-33(15-20(17)11-21)16-27(29-2)8-9-27/h5-6,10-11,13,22,29,36H,3-4,7-9,14-16H2,1-2H3,(H,30,31,32).

What are the key properties of 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 485.59 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).