1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione

C35H44N10O5S — CID 145188640

About 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione

1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 145188640) has the molecular formula C35H44N10O5S and a molecular weight of 716.87 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
• PubChem CID: 145188640
• Molecular Formula: C35H44N10O5S
• Molecular Weight: 716.87 g/mol
• Exact Mass: 716.32
• IUPAC Name: 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
• SMILES: CC(C)c1cc(Cn2c(=O)c3c(cnn3CC3CC3)n(C)c2=O)on1.Cc1nc(C)c(CCn2c(=O)c3c(cnn3CC3CC3C)n(C)c2=O)s1
• InChI: InChI=1S/C18H23N5O2S.C17H21N5O3/c1-10-7-13(10)9-23-16-14(8-19-23)21(4)18(25)22(17(16)24)6-5-15-11(2)20-12(3)26-15;1-10(2)13-6-12(25-19-13)9-21-16(23)15-14(20(3)17(21)24)7-18-22(15)8-11-4-5-11/h8,10,13H,5-7,9H2,1-4H3;6-7,10-11H,4-5,8-9H2,1-3H3
• InChIKey: OHRSASIDCMTCRA-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 162.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.87
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?

The IUPAC name of 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione (CID 145188640) is 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione.

What is the SMILES notation for 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?

The canonical SMILES for 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione is CC(C)c1cc(Cn2c(=O)c3c(cnn3CC3CC3)n(C)c2=O)on1.Cc1nc(C)c(CCn2c(=O)c3c(cnn3CC3CC3C)n(C)c2=O)s1.

What is the InChIKey of 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?

The InChIKey is OHRSASIDCMTCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.C17H21N5O3/c1-10-7-13(10)9-23-16-14(8-19-23)21(4)18(25)22(17(16)24)6-5-15-11(2)20-12(3)26-15;1-10(2)13-6-12(25-19-13)9-21-16(23)15-14(20(3)17(21)24)7-18-22(15)8-11-4-5-11/h8,10,13H,5-7,9H2,1-4H3;6-7,10-11H,4-5,8-9H2,1-3H3.

What are the key properties of 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?

1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 716.87 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 145188640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).