methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate

C22H25FN6O5 — CID 68607483

IUPACmethyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cncc1N1CCC(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)CC1
InChIInChI=1S/C22H25FN6O5/c1-33-19(30)18-16(23)11-24-12-17(18)29-6-2-14(3-7-29)8-27-20(31)22(4-5-22)28-21(32)34-15-9-25-13-26-10-15/h9-14H,2-8H2,1H3,(H,27,31)(H,28,32)
InChIKeyVHSQNZLUDDLBRY-UHFFFAOYSA-N
MW472.48 g/mol
LogP1.45
Rot. Bonds7

About methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate

methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate (PubChem CID 68607483) has the molecular formula C22H25FN6O5 and a molecular weight of 472.48 g/mol. Its IUPAC name is methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate
PubChem CID68607483
Molecular FormulaC22H25FN6O5
Molecular Weight472.48 g/mol
Exact Mass472.19
IUPAC Namemethyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cncc1N1CCC(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)CC1
InChIInChI=1S/C22H25FN6O5/c1-33-19(30)18-16(23)11-24-12-17(18)29-6-2-14(3-7-29)8-27-20(31)22(4-5-22)28-21(32)34-15-9-25-13-26-10-15/h9-14H,2-8H2,1H3,(H,27,31)(H,28,32)
InChIKeyVHSQNZLUDDLBRY-UHFFFAOYSA-N
XLogP1.45
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-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 methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate (CID 68607483) is methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate is COC(=O)c1c(F)cncc1N1CCC(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)CC1.
What is the InChIKey of methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate?
The InChIKey is VHSQNZLUDDLBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O5/c1-33-19(30)18-16(23)11-24-12-17(18)29-6-2-14(3-7-29)8-27-20(31)22(4-5-22)28-21(32)34-15-9-25-13-26-10-15/h9-14H,2-8H2,1H3,(H,27,31)(H,28,32).
What are the key properties of methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate?
methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate has a molecular weight of 472.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 68607483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).