N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide

C24H32N6O2 — CID 122626099

IUPACN-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4CC2C)C3C)cc1
InChIInChI=1S/C24H32N6O2/c1-4-17-7-9-18(10-8-17)23(31)25-22-20-14-30(16(3)21(20)26-27-22)24(32)29-13-19-6-5-11-28(19)12-15(29)2/h7-10,15-16,19H,4-6,11-14H2,1-3H3,(H2,25,26,27,31)/t15?,16?,19-/m0/s1
InChIKeyLNCJXGASZKEQCO-RJYAGPCLSA-N
MW436.56 g/mol
LogP3.39
Rot. Bonds3

About N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide

N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide (PubChem CID 122626099) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide
PubChem CID122626099
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4CC2C)C3C)cc1
InChIInChI=1S/C24H32N6O2/c1-4-17-7-9-18(10-8-17)23(31)25-22-20-14-30(16(3)21(20)26-27-22)24(32)29-13-19-6-5-11-28(19)12-15(29)2/h7-10,15-16,19H,4-6,11-14H2,1-3H3,(H2,25,26,27,31)/t15?,16?,19-/m0/s1
InChIKeyLNCJXGASZKEQCO-RJYAGPCLSA-N
XLogP3.39
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide?
The IUPAC name of N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide (CID 122626099) is N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide?
The canonical SMILES for N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4CC2C)C3C)cc1.
What is the InChIKey of N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide?
The InChIKey is LNCJXGASZKEQCO-RJYAGPCLSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-17-7-9-18(10-8-17)23(31)25-22-20-14-30(16(3)21(20)26-27-22)24(32)29-13-19-6-5-11-28(19)12-15(29)2/h7-10,15-16,19H,4-6,11-14H2,1-3H3,(H2,25,26,27,31)/t15?,16?,19-/m0/s1.
What are the key properties of N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide?
N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-ethylbenzamide is sourced from PubChem (CID 122626099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).