[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

C33H37N9O7 — CID 177112419

IUPAC[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CC(Oc2ncccc2-c2cnn3ccc(N4CCN(C(=O)ON5CC(=O)N(CCOCc6ccccc6)C5)CC4)nc23)C1
InChIInChI=1S/C33H37N9O7/c1-46-32(44)40-19-25(20-40)48-31-26(8-5-10-34-31)27-18-35-42-11-9-28(36-30(27)42)37-12-14-38(15-13-37)33(45)49-41-21-29(43)39(23-41)16-17-47-22-24-6-3-2-4-7-24/h2-11,18,25H,12-17,19-23H2,1H3
InChIKeyHRVFPVICRHTDLW-UHFFFAOYSA-N
MW671.72 g/mol
LogP2.11
Rot. Bonds10

About [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (PubChem CID 177112419) has the molecular formula C33H37N9O7 and a molecular weight of 671.72 g/mol. Its IUPAC name is [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
PubChem CID177112419
Molecular FormulaC33H37N9O7
Molecular Weight671.72 g/mol
Exact Mass671.28
IUPAC Name[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CC(Oc2ncccc2-c2cnn3ccc(N4CCN(C(=O)ON5CC(=O)N(CCOCc6ccccc6)C5)CC4)nc23)C1
InChIInChI=1S/C33H37N9O7/c1-46-32(44)40-19-25(20-40)48-31-26(8-5-10-34-31)27-18-35-42-11-9-28(36-30(27)42)37-12-14-38(15-13-37)33(45)49-41-21-29(43)39(23-41)16-17-47-22-24-6-3-2-4-7-24/h2-11,18,25H,12-17,19-23H2,1H3
InChIKeyHRVFPVICRHTDLW-UHFFFAOYSA-N
XLogP2.11
TPSA147.41 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.72
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 71744766
(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one
CID 176875103
7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 175841381
[(3S)-1-methyl-5-oxopyrrolidin-3-yl] 4-[3-[2-cyclopropyloxy-5-(trifluoromethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 177112426
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 166518423
4-[3-[2-(cyclopropylmethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid;hexan-2-one;2-methylpentane
CID 176941980
morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 131654610
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118253072
propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 86697443
benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate
CID 58547798
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749

Frequently Asked Questions

What is the IUPAC name of [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The IUPAC name of [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (CID 177112419) is [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The canonical SMILES for [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is COC(=O)N1CC(Oc2ncccc2-c2cnn3ccc(N4CCN(C(=O)ON5CC(=O)N(CCOCc6ccccc6)C5)CC4)nc23)C1.
What is the InChIKey of [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The InChIKey is HRVFPVICRHTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N9O7/c1-46-32(44)40-19-25(20-40)48-31-26(8-5-10-34-31)27-18-35-42-11-9-28(36-30(27)42)37-12-14-38(15-13-37)33(45)49-41-21-29(43)39(23-41)16-17-47-22-24-6-3-2-4-7-24/h2-11,18,25H,12-17,19-23H2,1H3.
What are the key properties of [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate has a molecular weight of 671.72 g/mol, XLogP of 2.11, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 177112419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).