N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide

C30H31FN6O4 — CID 71659101

IUPACN-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESO=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C30H31FN6O4/c31-24-7-9-25(10-8-24)33-30(39)32-20-21-1-3-22(4-2-21)27-19-28(36-35-27)34-29(38)23-5-11-26(12-6-23)41-18-15-37-13-16-40-17-14-37/h1-12,19H,13-18,20H2,(H2,32,33,39)(H2,34,35,36,38)
InChIKeyIIWNWGTVQWYQGV-UHFFFAOYSA-N
MW558.61 g/mol
LogP4.50
Rot. Bonds10

About N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide

N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 71659101) has the molecular formula C30H31FN6O4 and a molecular weight of 558.61 g/mol. Its IUPAC name is N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
PubChem CID71659101
Molecular FormulaC30H31FN6O4
Molecular Weight558.61 g/mol
Exact Mass558.24
IUPAC NameN-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESO=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C30H31FN6O4/c31-24-7-9-25(10-8-24)33-30(39)32-20-21-1-3-22(4-2-21)27-19-28(36-35-27)34-29(38)23-5-11-26(12-6-23)41-18-15-37-13-16-40-17-14-37/h1-12,19H,13-18,20H2,(H2,32,33,39)(H2,34,35,36,38)
InChIKeyIIWNWGTVQWYQGV-UHFFFAOYSA-N
XLogP4.50
TPSA120.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.61
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654492
N-[5-[4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 70654642
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)-2-propan-2-ylphthalazin-1-one
CID 11668744
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 56659824
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 56683625
4-(2-morpholin-4-ylethoxy)-N-[5-[4-[(phenylcarbamoylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
CID 70654558
pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654571
phenyl N-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654613
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 70654623
phenyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654709
pyridin-3-ylmethyl N-[[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654753

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide (CID 71659101) is N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide is O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is IIWNWGTVQWYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O4/c31-24-7-9-25(10-8-24)33-30(39)32-20-21-1-3-22(4-2-21)27-19-28(36-35-27)34-29(38)23-5-11-26(12-6-23)41-18-15-37-13-16-40-17-14-37/h1-12,19H,13-18,20H2,(H2,32,33,39)(H2,34,35,36,38).
What are the key properties of N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 558.61 g/mol, XLogP of 4.50, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 71659101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).