1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C38H36BrIN10O4 — CID 158653280

IUPAC1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Br)cn2)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(I)cn2)c1
InChIInChI=1S/C19H18BrN5O2.C19H18IN5O2/c2*20-15-3-6-18(22-10-15)25-12-14(9-23-25)19(26)24-16-4-1-13(2-5-16)17-11-21-7-8-27-17/h2*1-6,9-10,12,17,21H,7-8,11H2,(H,24,26)/t2*17-/m11/s1
InChIKeyIBUXLLFQTFJWQF-NDMDWDKOSA-N
MW903.58 g/mol
LogP5.73
Rot. Bonds8

About 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 158653280) has the molecular formula C38H36BrIN10O4 and a molecular weight of 903.58 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID158653280
Molecular FormulaC38H36BrIN10O4
Molecular Weight903.58 g/mol
Exact Mass902.11
IUPAC Name1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Br)cn2)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(I)cn2)c1
InChIInChI=1S/C19H18BrN5O2.C19H18IN5O2/c2*20-15-3-6-18(22-10-15)25-12-14(9-23-25)19(26)24-16-4-1-13(2-5-16)17-11-21-7-8-27-17/h2*1-6,9-10,12,17,21H,7-8,11H2,(H,24,26)/t2*17-/m11/s1
InChIKeyIBUXLLFQTFJWQF-NDMDWDKOSA-N
XLogP5.73
TPSA162.14 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.58
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047494
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 90047492
1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047409
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
N-(4-morpholin-2-ylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 90047385
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047611
1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047328
N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
CID 90047467
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087444
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087452
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 158653280) is 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Br)cn2)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(I)cn2)c1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is IBUXLLFQTFJWQF-NDMDWDKOSA-N. The full InChI is InChI=1S/C19H18BrN5O2.C19H18IN5O2/c2*20-15-3-6-18(22-10-15)25-12-14(9-23-25)19(26)24-16-4-1-13(2-5-16)17-11-21-7-8-27-17/h2*1-6,9-10,12,17,21H,7-8,11H2,(H,24,26)/t2*17-/m11/s1.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 903.58 g/mol, XLogP of 5.73, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158653280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).