N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide

C18H25N5O3 — CID 122561418

IUPACN-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide
SMILESCO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)c1cnn3ccn(C)c13)CC2
InChIInChI=1S/C18H25N5O3/c1-12(24)20-13-4-5-18(26-3)6-7-22(15(18)10-13)17(25)14-11-19-23-9-8-21(2)16(14)23/h8-9,11,13,15H,4-7,10H2,1-3H3,(H,20,24)/t13-,15+,18-/m1/s1
InChIKeyYPWOKOYWWHGNLG-QIIPPGSGSA-N
MW359.43 g/mol
LogP0.96
Rot. Bonds3

About N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide

N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide (PubChem CID 122561418) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide
PubChem CID122561418
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide
SMILESCO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)c1cnn3ccn(C)c13)CC2
InChIInChI=1S/C18H25N5O3/c1-12(24)20-13-4-5-18(26-3)6-7-22(15(18)10-13)17(25)14-11-19-23-9-8-21(2)16(14)23/h8-9,11,13,15H,4-7,10H2,1-3H3,(H,20,24)/t13-,15+,18-/m1/s1
InChIKeyYPWOKOYWWHGNLG-QIIPPGSGSA-N
XLogP0.96
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide with MolForge

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Related Compounds

1-methyl-N-[rac-(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]hept-6-yl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 91783636
1-methyl-N-[trans-4-piperidin-1-yltetrahydrofuran-3-yl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 118763188
rac-(3aR,6S,7aS)-3a,6-dimethoxy-1-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]octahydro-1H-indole
CID 118781555
rac-(3aR,6R,7aS)-3a,6-dimethoxy-1-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]octahydro-1H-indole
CID 118782837
N-[rac-(3aR,6R,7aS)-1-(1H-imidazol-2-ylmethyl)-3a-methoxyoctahydro-1H-indol-6-yl]-2-(1H-pyrazol-1-yl)acetamide
CID 122561952
N-[rac-(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 122564555
N-[rac-(3S,4S)-1-isopropyl-4-methoxypyrrolidin-3-yl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 124215662
1-methyl-N-[rel-(8S,8aS)-octahydro-8-indolizinyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 138379687
N-{(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 145932107
N-{(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 145932878
1-methyl-N-(trans-3-{[(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino}cyclohexyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 145935968
N-{rel-(3aS,4S,7aR)-2-[(dimethylamino)sulfonyl]octahydro-1H-isoindol-4-yl}-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 154566530

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide?
The IUPAC name of N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide (CID 122561418) is N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide.
What is the SMILES notation for N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide?
The canonical SMILES for N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide is CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)c1cnn3ccn(C)c13)CC2.
What is the InChIKey of N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide?
The InChIKey is YPWOKOYWWHGNLG-QIIPPGSGSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(24)20-13-4-5-18(26-3)6-7-22(15(18)10-13)17(25)14-11-19-23-9-8-21(2)16(14)23/h8-9,11,13,15H,4-7,10H2,1-3H3,(H,20,24)/t13-,15+,18-/m1/s1.
What are the key properties of N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide?
N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6R,7aS)-3a-methoxy-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]acetamide is sourced from PubChem (CID 122561418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).