propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate

C23H29FN6O4 — CID 118061527

IUPACpropan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C23H29FN6O4/c1-14(2)34-23(33)28-8-6-17(7-9-28)26-22(32)29-10-11-30-18(13-29)19(21(25)31)20(27-30)15-4-3-5-16(24)12-15/h3-5,12,14,17H,6-11,13H2,1-2H3,(H2,25,31)(H,26,32)
InChIKeyXDHDKZMPXDXXKX-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.32
Rot. Bonds4

About propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 118061527) has the molecular formula C23H29FN6O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID118061527
Molecular FormulaC23H29FN6O4
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Namepropan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C23H29FN6O4/c1-14(2)34-23(33)28-8-6-17(7-9-28)26-22(32)29-10-11-30-18(13-29)19(21(25)31)20(27-30)15-4-3-5-16(24)12-15/h3-5,12,14,17H,6-11,13H2,1-2H3,(H2,25,31)(H,26,32)
InChIKeyXDHDKZMPXDXXKX-UHFFFAOYSA-N
XLogP2.32
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate (CID 118061527) is propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1.
What is the InChIKey of propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XDHDKZMPXDXXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O4/c1-14(2)34-23(33)28-8-6-17(7-9-28)26-22(32)29-10-11-30-18(13-29)19(21(25)31)20(27-30)15-4-3-5-16(24)12-15/h3-5,12,14,17H,6-11,13H2,1-2H3,(H2,25,31)(H,26,32).
What are the key properties of propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 472.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 118061527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).