N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide

C23H26FN5O3 — CID 139391999

IUPACN-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide
SMILESCc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1
InChIInChI=1S/C23H26FN5O3/c1-15-12-17(25-23(31)6-7-29-8-10-32-11-9-29)3-4-19(15)26-22-14-20(27-28-22)16-2-5-21(30)18(24)13-16/h2-5,12-14,30H,6-11H2,1H3,(H,25,31)(H2,26,27,28)
InChIKeyRNRMGVAZBFQGCB-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.63
Rot. Bonds7

About N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide

N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide (PubChem CID 139391999) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide
PubChem CID139391999
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC NameN-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide
SMILESCc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1
InChIInChI=1S/C23H26FN5O3/c1-15-12-17(25-23(31)6-7-29-8-10-32-11-9-29)3-4-19(15)26-22-14-20(27-28-22)16-2-5-21(30)18(24)13-16/h2-5,12-14,30H,6-11H2,1H3,(H,25,31)(H2,26,27,28)
InChIKeyRNRMGVAZBFQGCB-UHFFFAOYSA-N
XLogP3.63
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide (CID 139391999) is N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide is Cc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1.
What is the InChIKey of N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is RNRMGVAZBFQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-15-12-17(25-23(31)6-7-29-8-10-32-11-9-29)3-4-19(15)26-22-14-20(27-28-22)16-2-5-21(30)18(24)13-16/h2-5,12-14,30H,6-11H2,1H3,(H,25,31)(H2,26,27,28).
What are the key properties of N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide?
N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 439.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 139391999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).