1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone

C17H21ClN4O2 — CID 159544218

IUPAC1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
SMILESCC(C)c1[nH]nc(C(=O)Cc2ccc([C@H]3CNCCO3)nc2)c1Cl
InChIInChI=1S/C17H21ClN4O2/c1-10(2)16-15(18)17(22-21-16)13(23)7-11-3-4-12(20-8-11)14-9-19-5-6-24-14/h3-4,8,10,14,19H,5-7,9H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyMEPBBMBNSDBWNQ-CQSZACIVSA-N
MW348.83 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone

1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone (PubChem CID 159544218) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
PubChem CID159544218
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
SMILESCC(C)c1[nH]nc(C(=O)Cc2ccc([C@H]3CNCCO3)nc2)c1Cl
InChIInChI=1S/C17H21ClN4O2/c1-10(2)16-15(18)17(22-21-16)13(23)7-11-3-4-12(20-8-11)14-9-19-5-6-24-14/h3-4,8,10,14,19H,5-7,9H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyMEPBBMBNSDBWNQ-CQSZACIVSA-N
XLogP2.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
CID 158428533
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
5-amino-4-chloro-3-imino-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]oct-4-en-2-one
CID 159725830
5-amino-4-chloro-3-imino-1-(6-morpholin-2-yl-3-pyridinyl)oct-4-en-2-one
CID 159725831
5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
CID 152948224
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
5-ethyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118485076
(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 161462801
5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 118484989
4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide
CID 134518390
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide
CID 118484432

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone (CID 159544218) is 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone is CC(C)c1[nH]nc(C(=O)Cc2ccc([C@H]3CNCCO3)nc2)c1Cl.
What is the InChIKey of 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone?
The InChIKey is MEPBBMBNSDBWNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10(2)16-15(18)17(22-21-16)13(23)7-11-3-4-12(20-8-11)14-9-19-5-6-24-14/h3-4,8,10,14,19H,5-7,9H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone?
1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone has a molecular weight of 348.83 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159544218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).