5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

C22H31N7O3 — CID 59508229

IUPAC5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cc(C5CC5)on4)n[nH]c3C2(C)C)[C@@H](C)CN1C
InChIInChI=1S/C22H31N7O3/c1-12-10-28(13(2)9-27(12)5)21(31)29-11-15-18(22(29,3)4)24-25-19(15)23-20(30)16-8-17(32-26-16)14-6-7-14/h8,12-14H,6-7,9-11H2,1-5H3,(H2,23,24,25,30)/t12-,13+/m1/s1
InChIKeyQGALZKADVNRDNW-OLZOCXBDSA-N
MW441.54 g/mol
LogP2.72
Rot. Bonds3

About 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 59508229) has the molecular formula C22H31N7O3 and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID59508229
Molecular FormulaC22H31N7O3
Molecular Weight441.54 g/mol
Exact Mass441.25
IUPAC Name5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cc(C5CC5)on4)n[nH]c3C2(C)C)[C@@H](C)CN1C
InChIInChI=1S/C22H31N7O3/c1-12-10-28(13(2)9-27(12)5)21(31)29-11-15-18(22(29,3)4)24-25-19(15)23-20(30)16-8-17(32-26-16)14-6-7-14/h8,12-14H,6-7,9-11H2,1-5H3,(H2,23,24,25,30)/t12-,13+/m1/s1
InChIKeyQGALZKADVNRDNW-OLZOCXBDSA-N
XLogP2.72
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 59508229) is 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cc(C5CC5)on4)n[nH]c3C2(C)C)[C@@H](C)CN1C.
What is the InChIKey of 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QGALZKADVNRDNW-OLZOCXBDSA-N. The full InChI is InChI=1S/C22H31N7O3/c1-12-10-28(13(2)9-27(12)5)21(31)29-11-15-18(22(29,3)4)24-25-19(15)23-20(30)16-8-17(32-26-16)14-6-7-14/h8,12-14H,6-7,9-11H2,1-5H3,(H2,23,24,25,30)/t12-,13+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[6,6-dimethyl-5-[(2S,5R)-2,4,5-trimethylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59508229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).