1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C23H31N5O4 — CID 110198679

IUPAC1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C23H31N5O4/c1-16-20(17(2)26(3)25-16)6-7-22(29)28-15-19(32-18-5-4-8-24-14-18)13-21(28)23(30)27-9-11-31-12-10-27/h4-5,8,14,19,21H,6-7,9-13,15H2,1-3H3/t19-,21-/m0/s1
InChIKeyVDFPONADKUDAFX-FPOVZHCZSA-N
MW441.53 g/mol
LogP1.27
Rot. Bonds6

About 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 110198679) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID110198679
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C23H31N5O4/c1-16-20(17(2)26(3)25-16)6-7-22(29)28-15-19(32-18-5-4-8-24-14-18)13-21(28)23(30)27-9-11-31-12-10-27/h4-5,8,14,19,21H,6-7,9-13,15H2,1-3H3/t19-,21-/m0/s1
InChIKeyVDFPONADKUDAFX-FPOVZHCZSA-N
XLogP1.27
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-methylpyrazol-4-yl)-3-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 145965985
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 24819287
6-(1-methylpyrazol-4-yl)-3-[(3S)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 145967970
3-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473236
3-({1-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}oxy)pyridine
CID 70725322
(7R,8aS)-2-[(1-methylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386243
5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405730
2-(3-Fluorophenyl)-1-[2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-YL]ethan-1-one
CID 110198637
1-[3-(4-Fluorophenyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198759
2-(3-Fluorophenyl)-1-[4-(3-pyridyloxy)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]-1-ethanone
CID 110198883
N-Cyclopropyl-1-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetyl}-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110199024
2-methoxy-1-[2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 118739819

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 110198679) is 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is VDFPONADKUDAFX-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-16-20(17(2)26(3)25-16)6-7-22(29)28-15-19(32-18-5-4-8-24-14-18)13-21(28)23(30)27-9-11-31-12-10-27/h4-5,8,14,19,21H,6-7,9-13,15H2,1-3H3/t19-,21-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 441.53 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-pyridin-3-yloxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 110198679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).