(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

C18H28N4O3 — CID 124817275

IUPAC(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESCn1cc(CN2C[C@@H]3[C@H](C2)OC[C@H]3C(=O)NCC2CCOCC2)cn1
InChIInChI=1S/C18H28N4O3/c1-21-8-14(7-20-21)9-22-10-15-16(12-25-17(15)11-22)18(23)19-6-13-2-4-24-5-3-13/h7-8,13,15-17H,2-6,9-12H2,1H3,(H,19,23)/t15-,16+,17-/m0/s1
InChIKeyKQJYBHYLEFWTPH-BBWFWOEESA-N
MW348.45 g/mol
LogP0.41
Rot. Bonds5

About (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (PubChem CID 124817275) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
PubChem CID124817275
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESCn1cc(CN2C[C@@H]3[C@H](C2)OC[C@H]3C(=O)NCC2CCOCC2)cn1
InChIInChI=1S/C18H28N4O3/c1-21-8-14(7-20-21)9-22-10-15-16(12-25-17(15)11-22)18(23)19-6-13-2-4-24-5-3-13/h7-8,13,15-17H,2-6,9-12H2,1H3,(H,19,23)/t15-,16+,17-/m0/s1
InChIKeyKQJYBHYLEFWTPH-BBWFWOEESA-N
XLogP0.41
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[[(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 125245186
N-[[(3R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 133142810
N-[[(3S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155847672
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356
N-[[(3R,3aR,6aR)-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 125244505
N-[[(1R,3aS,7aS)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 131697545
(1S,5R,6R)-N-benzyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143196
(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97477773
(1S,5R,6R)-N-cyclobutyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143202
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97387958
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380950

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The IUPAC name of (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (CID 124817275) is (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.
What is the SMILES notation for (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The canonical SMILES for (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is Cn1cc(CN2C[C@@H]3[C@H](C2)OC[C@H]3C(=O)NCC2CCOCC2)cn1.
What is the InChIKey of (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The InChIKey is KQJYBHYLEFWTPH-BBWFWOEESA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21-8-14(7-20-21)9-22-10-15-16(12-25-17(15)11-22)18(23)19-6-13-2-4-24-5-3-13/h7-8,13,15-17H,2-6,9-12H2,1H3,(H,19,23)/t15-,16+,17-/m0/s1.
What are the key properties of (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is sourced from PubChem (CID 124817275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).