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

C24H37N7O4 — CID 59508157

IUPACN-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4oc(C)nc4C)n[nH]c3C2(C)C)C[C@H]1C
InChIInChI=1S/C24H37N7O4/c1-14-12-30(15(2)11-29(14)9-8-10-34-7)23(33)31-13-18-20(24(31,5)6)27-28-21(18)26-22(32)19-16(3)25-17(4)35-19/h14-15H,8-13H2,1-7H3,(H2,26,27,28,32)/t14-,15+/m1/s1
InChIKeyIFJQHIVRQCBQER-CABCVRRESA-N
MW487.61 g/mol
LogP2.87
Rot. Bonds6

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

N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 59508157) has the molecular formula C24H37N7O4 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID59508157
Molecular FormulaC24H37N7O4
Molecular Weight487.61 g/mol
Exact Mass487.29
IUPAC NameN-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4oc(C)nc4C)n[nH]c3C2(C)C)C[C@H]1C
InChIInChI=1S/C24H37N7O4/c1-14-12-30(15(2)11-29(14)9-8-10-34-7)23(33)31-13-18-20(24(31,5)6)27-28-21(18)26-22(32)19-16(3)25-17(4)35-19/h14-15H,8-13H2,1-7H3,(H2,26,27,28,32)/t14-,15+/m1/s1
InChIKeyIFJQHIVRQCBQER-CABCVRRESA-N
XLogP2.87
TPSA119.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 59508157) is N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4oc(C)nc4C)n[nH]c3C2(C)C)C[C@H]1C.
What is the InChIKey of N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is IFJQHIVRQCBQER-CABCVRRESA-N. The full InChI is InChI=1S/C24H37N7O4/c1-14-12-30(15(2)11-29(14)9-8-10-34-7)23(33)31-13-18-20(24(31,5)6)27-28-21(18)26-22(32)19-16(3)25-17(4)35-19/h14-15H,8-13H2,1-7H3,(H2,26,27,28,32)/t14-,15+/m1/s1.
What are the key properties of N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 59508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).