4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide

C50H60Cl3N13O6 — CID 118484998

IUPAC4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
SMILESCCCc1c(Cl)c(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)nn1C.CCCc1c(Cl)c(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)nn1C.O=C(Nc1ccc([C@H]2CNCCO2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/2C17H22ClN5O2.C16H16ClN3O2/c2*1-3-4-13-15(18)16(22-23(13)2)17(24)21-11-5-6-12(20-9-11)14-10-19-7-8-25-14;17-12-3-1-11(2-4-12)16(21)20-13-5-6-14(19-9-13)15-10-18-7-8-22-15/h2*5-6,9,14,19H,3-4,7-8,10H2,1-2H3,(H,21,24);1-6,9,15,18H,7-8,10H2,(H,20,21)/t2*14-;15-/m101/s1
InChIKeyUQBODENXHHTZIX-BJBVATEESA-N
MW1045.47 g/mol
LogP7.32
Rot. Bonds13

About 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide

4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide (PubChem CID 118484998) has the molecular formula C50H60Cl3N13O6 and a molecular weight of 1045.47 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
PubChem CID118484998
Molecular FormulaC50H60Cl3N13O6
Molecular Weight1045.47 g/mol
Exact Mass1043.39
IUPAC Name4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
SMILESCCCc1c(Cl)c(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)nn1C.CCCc1c(Cl)c(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)nn1C.O=C(Nc1ccc([C@H]2CNCCO2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/2C17H22ClN5O2.C16H16ClN3O2/c2*1-3-4-13-15(18)16(22-23(13)2)17(24)21-11-5-6-12(20-9-11)14-10-19-7-8-25-14;17-12-3-1-11(2-4-12)16(21)20-13-5-6-14(19-9-13)15-10-18-7-8-22-15/h2*5-6,9,14,19H,3-4,7-8,10H2,1-2H3,(H,21,24);1-6,9,15,18H,7-8,10H2,(H,20,21)/t2*14-;15-/m101/s1
InChIKeyUQBODENXHHTZIX-BJBVATEESA-N
XLogP7.32
TPSA225.39 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001045.47
LogP ≤ 57.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide (CID 118484998) is 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide is CCCc1c(Cl)c(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)nn1C.CCCc1c(Cl)c(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)nn1C.O=C(Nc1ccc([C@H]2CNCCO2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide?
The InChIKey is UQBODENXHHTZIX-BJBVATEESA-N. The full InChI is InChI=1S/2C17H22ClN5O2.C16H16ClN3O2/c2*1-3-4-13-15(18)16(22-23(13)2)17(24)21-11-5-6-12(20-9-11)14-10-19-7-8-25-14;17-12-3-1-11(2-4-12)16(21)20-13-5-6-14(19-9-13)15-10-18-7-8-22-15/h2*5-6,9,14,19H,3-4,7-8,10H2,1-2H3,(H,21,24);1-6,9,15,18H,7-8,10H2,(H,20,21)/t2*14-;15-/m101/s1.
What are the key properties of 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide?
4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide has a molecular weight of 1045.47 g/mol, XLogP of 7.32, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-1-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propylpyrazole-3-carboxamide;4-chloro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 118484998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).