N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C38H48N12O5 — CID 172572704

About N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 172572704) has the molecular formula C38H48N12O5 and a molecular weight of 752.88 g/mol. Its IUPAC name is N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

• Compound Name: N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
• PubChem CID: 172572704
• Molecular Formula: C38H48N12O5
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.39
• IUPAC Name: N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
• SMILES: C/C=C1/NC2(CCCC2)n2c1c(C)cc(Nc1cc(NC(=O)C(C)C)ncn1)c2=O.Cc1cc(Nc2cc(NCCO)ncn2)c(=O)n2c1C(=O)NC2(C)C
• InChI: InChI=1S/C22H28N6O2.C16H20N6O3/c1-5-15-19-14(4)10-16(21(30)28(19)22(27-15)8-6-7-9-22)25-17-11-18(24-12-23-17)26-20(29)13(2)3;1-9-6-10(15(25)22-13(9)14(24)21-16(22,2)3)20-12-7-11(17-4-5-23)18-8-19-12/h5,10-13,27H,6-9H2,1-4H3,(H2,23,24,25,26,29);6-8,23H,4-5H2,1-3H3,(H,21,24)(H2,17,18,19,20)/b15-5+
• InChIKey: GKHGIFFPPKMZFR-GBDQXREISA-N
• XLogP: 4.01
• TPSA: 222.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	752.88
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?

The IUPAC name of N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 172572704) is N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

What is the SMILES notation for N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?

The canonical SMILES for N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is C/C=C1/NC2(CCCC2)n2c1c(C)cc(Nc1cc(NC(=O)C(C)C)ncn1)c2=O.Cc1cc(Nc2cc(NCCO)ncn2)c(=O)n2c1C(=O)NC2(C)C.

What is the InChIKey of N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?

The InChIKey is GKHGIFFPPKMZFR-GBDQXREISA-N. The full InChI is InChI=1S/C22H28N6O2.C16H20N6O3/c1-5-15-19-14(4)10-16(21(30)28(19)22(27-15)8-6-7-9-22)25-17-11-18(24-12-23-17)26-20(29)13(2)3;1-9-6-10(15(25)22-13(9)14(24)21-16(22,2)3)20-12-7-11(17-4-5-23)18-8-19-12/h5,10-13,27H,6-9H2,1-4H3,(H2,23,24,25,26,29);6-8,23H,4-5H2,1-3H3,(H,21,24)(H2,17,18,19,20)/b15-5+;.

What are the key properties of N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?

N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 752.88 g/mol, XLogP of 4.01, 9 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(1E)-1-ethylidene-8-methyl-5-oxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl]amino]pyrimidin-4-yl]-2-methylpropanamide;6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 172572704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).