(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide

C20H27N5O2 — CID 128970506

IUPAC(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-17(7-9-22-25)19-16(8-12-27-19)20(26)23-15-5-6-18(21-13-15)24-10-3-4-11-24/h5-7,9,13-14,16,19H,3-4,8,10-12H2,1-2H3,(H,23,26)/t16-,19-/m0/s1
InChIKeyYITIFCXRWRLOJD-LPHOPBHVSA-N
MW369.47 g/mol
LogP3.18
Rot. Bonds5

About (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide

(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide (PubChem CID 128970506) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
PubChem CID128970506
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-17(7-9-22-25)19-16(8-12-27-19)20(26)23-15-5-6-18(21-13-15)24-10-3-4-11-24/h5-7,9,13-14,16,19H,3-4,8,10-12H2,1-2H3,(H,23,26)/t16-,19-/m0/s1
InChIKeyYITIFCXRWRLOJD-LPHOPBHVSA-N
XLogP3.18
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128972997
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide
CID 128972832
(2R)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 42417081
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 120938492
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide (CID 128970506) is (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide is CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide?
The InChIKey is YITIFCXRWRLOJD-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)25-17(7-9-22-25)19-16(8-12-27-19)20(26)23-15-5-6-18(21-13-15)24-10-3-4-11-24/h5-7,9,13-14,16,19H,3-4,8,10-12H2,1-2H3,(H,23,26)/t16-,19-/m0/s1.
What are the key properties of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide?
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 128970506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).