[(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C20H24FN5O2 — CID 161055021

IUPAC[(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESC[C@@H](CF)OC(=O)N1CCN(c2ccnc3c2C=C(c2cnn(C)c2)C3)CC1
InChIInChI=1S/C20H24FN5O2/c1-14(11-21)28-20(27)26-7-5-25(6-8-26)19-3-4-22-18-10-15(9-17(18)19)16-12-23-24(2)13-16/h3-4,9,12-14H,5-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyUCQARHWTWSJQEU-AWEZNQCLSA-N
MW385.44 g/mol
LogP2.53
Rot. Bonds4

About [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

[(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 161055021) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID161055021
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name[(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESC[C@@H](CF)OC(=O)N1CCN(c2ccnc3c2C=C(c2cnn(C)c2)C3)CC1
InChIInChI=1S/C20H24FN5O2/c1-14(11-21)28-20(27)26-7-5-25(6-8-26)19-3-4-22-18-10-15(9-17(18)19)16-12-23-24(2)13-16/h3-4,9,12-14H,5-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyUCQARHWTWSJQEU-AWEZNQCLSA-N
XLogP2.53
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 161055021) is [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is C[C@@H](CF)OC(=O)N1CCN(c2ccnc3c2C=C(c2cnn(C)c2)C3)CC1.
What is the InChIKey of [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is UCQARHWTWSJQEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-14(11-21)28-20(27)26-7-5-25(6-8-26)19-3-4-22-18-10-15(9-17(18)19)16-12-23-24(2)13-16/h3-4,9,12-14H,5-8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
[(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-fluoropropan-2-yl] 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 161055021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).