N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide

C25H38N8O2 — CID 59508331

IUPACN-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESC[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(C)(C)C)nn3C)n[nH]c2C1(C)C
InChIInChI=1S/C25H38N8O2/c1-15-12-31-10-8-9-16(31)13-32(15)23(35)33-14-17-20(25(33,5)6)27-28-21(17)26-22(34)18-11-19(24(2,3)4)29-30(18)7/h11,15-16H,8-10,12-14H2,1-7H3,(H2,26,27,28,34)/t15-,16-/m0/s1
InChIKeyVFKBBSVLBHZILL-HOTGVXAUSA-N
MW482.63 g/mol
LogP3.03
Rot. Bonds2

About N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide

N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide (PubChem CID 59508331) has the molecular formula C25H38N8O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
PubChem CID59508331
Molecular FormulaC25H38N8O2
Molecular Weight482.63 g/mol
Exact Mass482.31
IUPAC NameN-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESC[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(C)(C)C)nn3C)n[nH]c2C1(C)C
InChIInChI=1S/C25H38N8O2/c1-15-12-31-10-8-9-16(31)13-32(15)23(35)33-14-17-20(25(33,5)6)27-28-21(17)26-22(34)18-11-19(24(2,3)4)29-30(18)7/h11,15-16H,8-10,12-14H2,1-7H3,(H2,26,27,28,34)/t15-,16-/m0/s1
InChIKeyVFKBBSVLBHZILL-HOTGVXAUSA-N
XLogP3.03
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide (CID 59508331) is N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide is C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(C)(C)C)nn3C)n[nH]c2C1(C)C.
What is the InChIKey of N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The InChIKey is VFKBBSVLBHZILL-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H38N8O2/c1-15-12-31-10-8-9-16(31)13-32(15)23(35)33-14-17-20(25(33,5)6)27-28-21(17)26-22(34)18-11-19(24(2,3)4)29-30(18)7/h11,15-16H,8-10,12-14H2,1-7H3,(H2,26,27,28,34)/t15-,16-/m0/s1.
What are the key properties of N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 59508331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).