(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide

C18H24N4O4 — CID 128965082

IUPAC(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(OC)nc2)cn1
InChIInChI=1S/C18H24N4O4/c1-24-8-6-22-12-14(11-21-22)17-15(5-7-26-17)18(23)20-10-13-3-4-16(25-2)19-9-13/h3-4,9,11-12,15,17H,5-8,10H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyHOQVHGFZSLTIFB-DOTOQJQBSA-N
MW360.41 g/mol
LogP1.33
Rot. Bonds8

About (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 128965082) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID128965082
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(OC)nc2)cn1
InChIInChI=1S/C18H24N4O4/c1-24-8-6-22-12-14(11-21-22)17-15(5-7-26-17)18(23)20-10-13-3-4-16(25-2)19-9-13/h3-4,9,11-12,15,17H,5-8,10H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyHOQVHGFZSLTIFB-DOTOQJQBSA-N
XLogP1.33
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 128995423
(2S,3S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
CID 129323561
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005917
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
CID 138002359
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973421
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide (CID 128965082) is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(OC)nc2)cn1.
What is the InChIKey of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is HOQVHGFZSLTIFB-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-24-8-6-22-12-14(11-21-22)17-15(5-7-26-17)18(23)20-10-13-3-4-16(25-2)19-9-13/h3-4,9,11-12,15,17H,5-8,10H2,1-2H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128965082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).