1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide

C16H23N5O2 — CID 118763188

IUPAC1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)c12
InChIInChI=1S/C16H23N5O2/c1-19-7-8-21-16(19)12(9-17-21)15(22)18-13-10-23-11-14(13)20-5-3-2-4-6-20/h7-9,13-14H,2-6,10-11H2,1H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyMITJXCATJFAGBY-KBPBESRZSA-N
MW317.39 g/mol
LogP0.66
Rot. Bonds3

About 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 118763188) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID118763188
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)c12
InChIInChI=1S/C16H23N5O2/c1-19-7-8-21-16(19)12(9-17-21)15(22)18-13-10-23-11-14(13)20-5-3-2-4-6-20/h7-9,13-14H,2-6,10-11H2,1H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyMITJXCATJFAGBY-KBPBESRZSA-N
XLogP0.66
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873836
1-cyclopentyl-6-[(1R)-1-[(3S)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873898
1'-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56878667
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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 122564852
1-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 124213341
N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125174189
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 125525367
1-methyl-7-{[4-(trifluoromethoxy)-1-piperidinyl]carbonyl}-1H-imidazo[1,2-b]pyrazole
CID 162629901
N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 166400789
N-[1-(1H-imidazol-1-ylmethyl)-2-methylpropyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50956537
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50957554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 118763188) is 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)c12.
What is the InChIKey of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is MITJXCATJFAGBY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-19-7-8-21-16(19)12(9-17-21)15(22)18-13-10-23-11-14(13)20-5-3-2-4-6-20/h7-9,13-14H,2-6,10-11H2,1H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 118763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).