N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide

C18H20N4O3 — CID 50976722

IUPACN-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1
InChIInChI=1S/C18H20N4O3/c23-16(6-5-11-8-19-14-4-2-1-3-13(11)14)21-12-7-15-18(25)20-9-17(24)22(15)10-12/h1-4,8,12,15,19H,5-7,9-10H2,(H,20,25)(H,21,23)/t12-,15+/m1/s1
InChIKeyWAWCQXAPHXKJLD-DOMZBBRYSA-N
MW340.38 g/mol
LogP0.32
Rot. Bonds4

About N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide

N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 50976722) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID50976722
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1
InChIInChI=1S/C18H20N4O3/c23-16(6-5-11-8-19-14-4-2-1-3-13(11)14)21-12-7-15-18(25)20-9-17(24)22(15)10-12/h1-4,8,12,15,19H,5-7,9-10H2,(H,20,25)(H,21,23)/t12-,15+/m1/s1
InChIKeyWAWCQXAPHXKJLD-DOMZBBRYSA-N
XLogP0.32
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide (CID 50976722) is N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1.
What is the InChIKey of N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WAWCQXAPHXKJLD-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(6-5-11-8-19-14-4-2-1-3-13(11)14)21-12-7-15-18(25)20-9-17(24)22(15)10-12/h1-4,8,12,15,19H,5-7,9-10H2,(H,20,25)(H,21,23)/t12-,15+/m1/s1.
What are the key properties of N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide?
N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 50976722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).