N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

C24H27FN6O3 — CID 171654812

IUPACN-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCCN(c3ccc(F)cn3)CC2)c1
InChIInChI=1S/C24H27FN6O3/c25-19-7-8-22(26-15-19)29-10-4-11-30(13-12-29)24(33)18-31-17-20(16-27-31)28-23(32)9-14-34-21-5-2-1-3-6-21/h1-3,5-8,15-17H,4,9-14,18H2,(H,28,32)
InChIKeyABZHGCBCTGVLAT-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.56
Rot. Bonds8

About N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (PubChem CID 171654812) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
PubChem CID171654812
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC NameN-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCCN(c3ccc(F)cn3)CC2)c1
InChIInChI=1S/C24H27FN6O3/c25-19-7-8-22(26-15-19)29-10-4-11-30(13-12-29)24(33)18-31-17-20(16-27-31)28-23(32)9-14-34-21-5-2-1-3-6-21/h1-3,5-8,15-17H,4,9-14,18H2,(H,28,32)
InChIKeyABZHGCBCTGVLAT-UHFFFAOYSA-N
XLogP2.56
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 45242304
N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42501099
N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46053392
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 146135268
2-phenoxy-N-[6-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]-3-pyridinyl]acetamide
CID 46053391
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenoxyacetamide
CID 46054009
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42420524
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
N-[1-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenoxyacetamide
CID 26347978

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (CID 171654812) is N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCCN(c3ccc(F)cn3)CC2)c1.
What is the InChIKey of N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The InChIKey is ABZHGCBCTGVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c25-19-7-8-22(26-15-19)29-10-4-11-30(13-12-29)24(33)18-31-17-20(16-27-31)28-23(32)9-14-34-21-5-2-1-3-6-21/h1-3,5-8,15-17H,4,9-14,18H2,(H,28,32).
What are the key properties of N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide has a molecular weight of 466.52 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 171654812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).