N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide

C27H28N6O2 — CID 117078785

IUPACN-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
SMILESCn1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C27H28N6O2/c1-32-26(30-27(34)17-20-5-3-2-4-6-20)19-24(31-32)21-11-12-28-25(18-21)29-22-7-9-23(10-8-22)33-13-15-35-16-14-33/h2-12,18-19H,13-17H2,1H3,(H,28,29)(H,30,34)
InChIKeyRPCUTJROGCGTJG-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.24
Rot. Bonds7

About N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide

N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide (PubChem CID 117078785) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
PubChem CID117078785
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC NameN-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
SMILESCn1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C27H28N6O2/c1-32-26(30-27(34)17-20-5-3-2-4-6-20)19-24(31-32)21-11-12-28-25(18-21)29-22-7-9-23(10-8-22)33-13-15-35-16-14-33/h2-12,18-19H,13-17H2,1H3,(H,28,29)(H,30,34)
InChIKeyRPCUTJROGCGTJG-UHFFFAOYSA-N
XLogP4.24
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
N-(4-morpholin-4-ylphenyl)-4-(2-phenylimidazol-1-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 117076818
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367
2-(4-morpholin-4-ylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092220
N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341949
N-(4-morpholin-4-ylphenyl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063679
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide (CID 117078785) is N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide is Cn1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide?
The InChIKey is RPCUTJROGCGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-32-26(30-27(34)17-20-5-3-2-4-6-20)19-24(31-32)21-11-12-28-25(18-21)29-22-7-9-23(10-8-22)33-13-15-35-16-14-33/h2-12,18-19H,13-17H2,1H3,(H,28,29)(H,30,34).
What are the key properties of N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide?
N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide has a molecular weight of 468.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 117078785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).