N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide

C23H21F5N6O2 — CID 164798558

IUPACN'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide
SMILESCn1nccc1-c1cc(C(=O)N2CCOC[C@@H]2c2ccc(C(F)(F)C(F)(F)F)cc2)ncc1/N=C/N
InChIInChI=1S/C23H21F5N6O2/c1-33-19(6-7-32-33)16-10-17(30-11-18(16)31-13-29)21(35)34-8-9-36-12-20(34)14-2-4-15(5-3-14)22(24,25)23(26,27)28/h2-7,10-11,13,20H,8-9,12H2,1H3,(H2,29,31)/t20-/m1/s1
InChIKeySRZIOGFMILPRPP-HXUWFJFHSA-N
MW508.45 g/mol
LogP3.97
Rot. Bonds5

About N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide

N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide (PubChem CID 164798558) has the molecular formula C23H21F5N6O2 and a molecular weight of 508.45 g/mol. Its IUPAC name is N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide
PubChem CID164798558
Molecular FormulaC23H21F5N6O2
Molecular Weight508.45 g/mol
Exact Mass508.16
IUPAC NameN'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide
SMILESCn1nccc1-c1cc(C(=O)N2CCOC[C@@H]2c2ccc(C(F)(F)C(F)(F)F)cc2)ncc1/N=C/N
InChIInChI=1S/C23H21F5N6O2/c1-33-19(6-7-32-33)16-10-17(30-11-18(16)31-13-29)21(35)34-8-9-36-12-20(34)14-2-4-15(5-3-14)22(24,25)23(26,27)28/h2-7,10-11,13,20H,8-9,12H2,1H3,(H2,29,31)/t20-/m1/s1
InChIKeySRZIOGFMILPRPP-HXUWFJFHSA-N
XLogP3.97
TPSA98.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-1-methylpyrazolo[4,5-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholin-4-yl]methanone
CID 164798709
(5-aminopyrimido[4,5-c][1,7]naphthyridin-9-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798754
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
CID 164798691
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798385
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798589
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 124994732
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2S)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 164798606
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone
CID 164981184
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[5-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,2-oxazol-3-yl]methanone
CID 146230060
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798492
(4-amino-3-methyl-1,2-dihydropyrazolo[4,3-d]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798681
1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide?
The IUPAC name of N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide (CID 164798558) is N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide.
What is the SMILES notation for N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide?
The canonical SMILES for N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide is Cn1nccc1-c1cc(C(=O)N2CCOC[C@@H]2c2ccc(C(F)(F)C(F)(F)F)cc2)ncc1/N=C/N.
What is the InChIKey of N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide?
The InChIKey is SRZIOGFMILPRPP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21F5N6O2/c1-33-19(6-7-32-33)16-10-17(30-11-18(16)31-13-29)21(35)34-8-9-36-12-20(34)14-2-4-15(5-3-14)22(24,25)23(26,27)28/h2-7,10-11,13,20H,8-9,12H2,1H3,(H2,29,31)/t20-/m1/s1.
What are the key properties of N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide?
N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide has a molecular weight of 508.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpyrazol-3-yl)-6-[(3S)-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]morpholine-4-carbonyl]-3-pyridinyl]methanimidamide is sourced from PubChem (CID 164798558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).