N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide

C18H19N5O2 — CID 97448963

IUPACN-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide
SMILESCC(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2NC(=O)c1nccnc1N
InChIInChI=1S/C18H19N5O2/c1-10(24)23-8-13-11-4-2-3-5-12(11)15(14(13)9-23)22-18(25)16-17(19)21-7-6-20-16/h2-7,13-15H,8-9H2,1H3,(H2,19,21)(H,22,25)/t13-,14-,15-/m0/s1
InChIKeyZGQBKDQCSMCSNU-KKUMJFAQSA-N
MW337.38 g/mol
LogP1.11
Rot. Bonds2

About N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide

N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide (PubChem CID 97448963) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide
PubChem CID97448963
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide
SMILESCC(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2NC(=O)c1nccnc1N
InChIInChI=1S/C18H19N5O2/c1-10(24)23-8-13-11-4-2-3-5-12(11)15(14(13)9-23)22-18(25)16-17(19)21-7-6-20-16/h2-7,13-15H,8-9H2,1H3,(H2,19,21)(H,22,25)/t13-,14-,15-/m0/s1
InChIKeyZGQBKDQCSMCSNU-KKUMJFAQSA-N
XLogP1.11
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide?
The IUPAC name of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide (CID 97448963) is N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide.
What is the SMILES notation for N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide?
The canonical SMILES for N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide is CC(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2NC(=O)c1nccnc1N.
What is the InChIKey of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide?
The InChIKey is ZGQBKDQCSMCSNU-KKUMJFAQSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10(24)23-8-13-11-4-2-3-5-12(11)15(14(13)9-23)22-18(25)16-17(19)21-7-6-20-16/h2-7,13-15H,8-9H2,1H3,(H2,19,21)(H,22,25)/t13-,14-,15-/m0/s1.
What are the key properties of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide?
N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide is sourced from PubChem (CID 97448963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).