4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide

C24H28FN7O3 — CID 57335238

IUPAC4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)(O)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)ccc1F
InChIInChI=1S/C24H28FN7O3/c1-24(2,34)18-14-16(5-6-19(18)25)30-23(33)32-12-10-31(11-13-32)21-20(4-3-8-27-21)35-15-17-7-9-28-22(26)29-17/h3-9,14,34H,10-13,15H2,1-2H3,(H,30,33)(H2,26,28,29)
InChIKeyAUDJPRUYSJGXOC-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.75
Rot. Bonds6

About 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide

4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide (PubChem CID 57335238) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide
PubChem CID57335238
Molecular FormulaC24H28FN7O3
Molecular Weight481.53 g/mol
Exact Mass481.22
IUPAC Name4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)(O)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)ccc1F
InChIInChI=1S/C24H28FN7O3/c1-24(2,34)18-14-16(5-6-19(18)25)30-23(33)32-12-10-31(11-13-32)21-20(4-3-8-27-21)35-15-17-7-9-28-22(26)29-17/h3-9,14,34H,10-13,15H2,1-2H3,(H,30,33)(H2,26,28,29)
InChIKeyAUDJPRUYSJGXOC-UHFFFAOYSA-N
XLogP2.75
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide (CID 57335238) is 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide is CC(C)(O)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)ccc1F.
What is the InChIKey of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is AUDJPRUYSJGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-24(2,34)18-14-16(5-6-19(18)25)30-23(33)32-12-10-31(11-13-32)21-20(4-3-8-27-21)35-15-17-7-9-28-22(26)29-17/h3-9,14,34H,10-13,15H2,1-2H3,(H,30,33)(H2,26,28,29).
What are the key properties of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide?
4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 57335238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).