1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide

C17H23N5O2 — CID 91783636

IUPAC1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)c12
InChIInChI=1S/C17H23N5O2/c1-20-7-8-22-17(20)12(10-18-22)16(23)19-13-11-4-9-24-15(11)14(13)21-5-2-3-6-21/h7-8,10-11,13-15H,2-6,9H2,1H3,(H,19,23)/t11-,13+,14-,15-/m1/s1
InChIKeyRWNKFKYAOOTHLJ-FAAHXZRKSA-N
MW329.40 g/mol
LogP0.65
Rot. Bonds3

About 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 91783636) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID91783636
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)c12
InChIInChI=1S/C17H23N5O2/c1-20-7-8-22-17(20)12(10-18-22)16(23)19-13-11-4-9-24-15(11)14(13)21-5-2-3-6-21/h7-8,10-11,13-15H,2-6,9H2,1H3,(H,19,23)/t11-,13+,14-,15-/m1/s1
InChIKeyRWNKFKYAOOTHLJ-FAAHXZRKSA-N
XLogP0.65
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Related Compounds

N-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 91761700
N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125174189
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50957554
N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50976943
[1-(2-Methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 172625223
N-(3-azepan-1-yl-2-hydroxypropyl)-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50976662
N-[2-(4-isobutylmorpholin-2-yl)ethyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 56713940
6-methyl-N-[rac-(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]hept-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91767346
N-[rac-(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-yl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 91775737
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 95124076
N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 95124077
N-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 95138070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 91783636) is 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)c12.
What is the InChIKey of 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is RWNKFKYAOOTHLJ-FAAHXZRKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-7-8-22-17(20)12(10-18-22)16(23)19-13-11-4-9-24-15(11)14(13)21-5-2-3-6-21/h7-8,10-11,13-15H,2-6,9H2,1H3,(H,19,23)/t11-,13+,14-,15-/m1/s1.
What are the key properties of 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 91783636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).