(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

C28H36N6O2 — CID 164983361

IUPAC(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnn(CC)c4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C28H36N6O2/c1-4-21-8-9-33(18-21)28(35)30-24-7-6-20(3)25(16-24)22-14-26(23-17-29-34(5-2)19-23)31-27(15-22)32-10-12-36-13-11-32/h6-7,14-17,19,21H,4-5,8-13,18H2,1-3H3,(H,30,35)/t21-/m1/s1
InChIKeyFUQWNXBQUNGQBA-OAQYLSRUSA-N
MW488.64 g/mol
LogP5.04
Rot. Bonds6

About (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 164983361) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID164983361
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnn(CC)c4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C28H36N6O2/c1-4-21-8-9-33(18-21)28(35)30-24-7-6-20(3)25(16-24)22-14-26(23-17-29-34(5-2)19-23)31-27(15-22)32-10-12-36-13-11-32/h6-7,14-17,19,21H,4-5,8-13,18H2,1-3H3,(H,30,35)/t21-/m1/s1
InChIKeyFUQWNXBQUNGQBA-OAQYLSRUSA-N
XLogP5.04
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 164970643
(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propanoyl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 165029548
(3R)-N-[3-[2-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 159491474
N-[4-methyl-3-[2-morpholin-4-yl-6-(1H-pyrazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709617
(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 167540727
N-[3-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709641
(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764852
(3S)-N-[3-[2-(cyclohexen-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164973294
(3S)-N-[3-[2-(hydroxymethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764742
tert-butyl N-[(3S)-1-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 157299416
N-[3-[2-(tert-butylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468212
(3S)-N-[4-methyl-3-[2-[(3S)-3-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 159144908

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (CID 164983361) is (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnn(CC)c4)nc(N4CCOCC4)c3)c2)C1.
What is the InChIKey of (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is FUQWNXBQUNGQBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-4-21-8-9-33(18-21)28(35)30-24-7-6-20(3)25(16-24)22-14-26(23-17-29-34(5-2)19-23)31-27(15-22)32-10-12-36-13-11-32/h6-7,14-17,19,21H,4-5,8-13,18H2,1-3H3,(H,30,35)/t21-/m1/s1.
What are the key properties of (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164983361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).