4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide

C30H33Cl2F3N10O6 — CID 158235252

IUPAC4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
SMILESCCOc1n[nH]c(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)c1Cl.O=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1[nH]nc(OCC(F)(F)F)c1Cl
InChIInChI=1S/C15H15ClF3N5O3.C15H18ClN5O3/c16-11-12(23-24-14(11)27-7-15(17,18)19)13(25)22-8-1-2-9(21-5-8)10-6-20-3-4-26-10;1-2-23-15-12(16)13(20-21-15)14(22)19-9-3-4-10(18-7-9)11-8-17-5-6-24-11/h1-2,5,10,20H,3-4,6-7H2,(H,22,25)(H,23,24);3-4,7,11,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t10-;11-/m00/s1
InChIKeyGEWPOJZFCLVPEZ-ZJWKZYRJSA-N
MW757.56 g/mol
LogP4.08
Rot. Bonds10

About 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide

4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide (PubChem CID 158235252) has the molecular formula C30H33Cl2F3N10O6 and a molecular weight of 757.56 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
PubChem CID158235252
Molecular FormulaC30H33Cl2F3N10O6
Molecular Weight757.56 g/mol
Exact Mass756.19
IUPAC Name4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
SMILESCCOc1n[nH]c(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)c1Cl.O=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1[nH]nc(OCC(F)(F)F)c1Cl
InChIInChI=1S/C15H15ClF3N5O3.C15H18ClN5O3/c16-11-12(23-24-14(11)27-7-15(17,18)19)13(25)22-8-1-2-9(21-5-8)10-6-20-3-4-26-10;1-2-23-15-12(16)13(20-21-15)14(22)19-9-3-4-10(18-7-9)11-8-17-5-6-24-11/h1-2,5,10,20H,3-4,6-7H2,(H,22,25)(H,23,24);3-4,7,11,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t10-;11-/m00/s1
InChIKeyGEWPOJZFCLVPEZ-ZJWKZYRJSA-N
XLogP4.08
TPSA202.32 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.56
LogP ≤ 54.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide
CID 118484432
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
5-ethyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118485076
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 118484989
2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
CID 158428533
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 90133875
N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
CID 71086852
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide
CID 145452915
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide (CID 158235252) is 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide is CCOc1n[nH]c(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)c1Cl.O=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1[nH]nc(OCC(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide?
The InChIKey is GEWPOJZFCLVPEZ-ZJWKZYRJSA-N. The full InChI is InChI=1S/C15H15ClF3N5O3.C15H18ClN5O3/c16-11-12(23-24-14(11)27-7-15(17,18)19)13(25)22-8-1-2-9(21-5-8)10-6-20-3-4-26-10;1-2-23-15-12(16)13(20-21-15)14(22)19-9-3-4-10(18-7-9)11-8-17-5-6-24-11/h1-2,5,10,20H,3-4,6-7H2,(H,22,25)(H,23,24);3-4,7,11,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t10-;11-/m00/s1.
What are the key properties of 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide?
4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide has a molecular weight of 757.56 g/mol, XLogP of 4.08, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 158235252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).